N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid

C97H96N18O14S6 — CID 157107618

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C34H34N6O5S2.C29H26N6O3S2.C19H18N4O4S.C15H18N2O2S/c1-34(2,3)45-33(42)38-28-13-11-25(30-9-6-18-46-30)20-29(28)37-31(41)26-21-35-32(36-22-26)39-14-16-40(17-15-39)47(43,44)27-12-10-23-7-4-5-8-24(23)19-27;30-25-10-8-22(27-6-3-15-39-27)17-26(25)33-28(36)23-18-31-29(32-19-23)34-11-13-35(14-12-34)40(37,38)24-9-7-20-4-1-2-5-21(20)16-24;24-18(25)16-12-20-19(21-13-16)22-7-9-23(10-8-22)28(26,27)17-6-5-14-3-1-2-4-15(14)11-17;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13/h4-13,18-22H,14-17H2,1-3H3,(H,37,41)(H,38,42);1-10,15-19H,11-14,30H2,(H,33,36);1-6,11-13H,7-10H2,(H,24,25);4-9H,16H2,1-3H3,(H,17,18)
InChIKeyAGMAUQOYYALIDP-UHFFFAOYSA-N
MW1930.35 g/mol
LogP17.36
Rot. Bonds19

About N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid

N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid (PubChem CID 157107618) has the molecular formula C97H96N18O14S6 and a molecular weight of 1930.35 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid
PubChem CID157107618
Molecular FormulaC97H96N18O14S6
Molecular Weight1930.35 g/mol
Exact Mass1928.57
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
InChIInChI=1S/C34H34N6O5S2.C29H26N6O3S2.C19H18N4O4S.C15H18N2O2S/c1-34(2,3)45-33(42)38-28-13-11-25(30-9-6-18-46-30)20-29(28)37-31(41)26-21-35-32(36-22-26)39-14-16-40(17-15-39)47(43,44)27-12-10-23-7-4-5-8-24(23)19-27;30-25-10-8-22(27-6-3-15-39-27)17-26(25)33-28(36)23-18-31-29(32-19-23)34-11-13-35(14-12-34)40(37,38)24-9-7-20-4-1-2-5-21(20)16-24;24-18(25)16-12-20-19(21-13-16)22-7-9-23(10-8-22)28(26,27)17-6-5-14-3-1-2-4-15(14)11-17;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13/h4-13,18-22H,14-17H2,1-3H3,(H,37,41)(H,38,42);1-10,15-19H,11-14,30H2,(H,33,36);1-6,11-13H,7-10H2,(H,24,25);4-9H,16H2,1-3H3,(H,17,18)
InChIKeyAGMAUQOYYALIDP-UHFFFAOYSA-N
XLogP17.36
TPSA423.40 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.35
LogP ≤ 517.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate
CID 59736685
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 59736731
N-(2-amino-4-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66900514
N-(2-amino-5-thiophen-2-ylphenyl)-2-[[1-(piperidine-1-carbonyl)piperidin-4-yl]amino]pyrimidine-5-carboxamide;N-(2-amino-5-thiophen-2-ylphenyl)-2-(piperidin-4-ylamino)pyrimidine-5-carboxamide;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl 4-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]carbamoyl]pyrimidin-2-yl]amino]piperidine-1-carboxylate;ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylate;2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]pyrimidine-5-carboxylic acid;piperidine-1-carbonyl chloride
CID 157927852
sodium;N-(2-amino-5-thiophen-2-ylphenyl)-2-[4-[(4-phenylphenyl)carbamoyl]piperazin-1-yl]pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-[4-[(4-phenylphenyl)carbamoyl]piperazin-1-yl]pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-[4-[(4-phenylphenyl)carbamoyl]piperazin-1-yl]pyrimidine-5-carboxylate
CID 161499225

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid (CID 157107618) is N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.Nc1ccc(-c2cccs2)cc1NC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.O=C(O)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
The InChIKey is AGMAUQOYYALIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N6O5S2.C29H26N6O3S2.C19H18N4O4S.C15H18N2O2S/c1-34(2,3)45-33(42)38-28-13-11-25(30-9-6-18-46-30)20-29(28)37-31(41)26-21-35-32(36-22-26)39-14-16-40(17-15-39)47(43,44)27-12-10-23-7-4-5-8-24(23)19-27;30-25-10-8-22(27-6-3-15-39-27)17-26(25)33-28(36)23-18-31-29(32-19-23)34-11-13-35(14-12-34)40(37,38)24-9-7-20-4-1-2-5-21(20)16-24;24-18(25)16-12-20-19(21-13-16)22-7-9-23(10-8-22)28(26,27)17-6-5-14-3-1-2-4-15(14)11-17;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13/h4-13,18-22H,14-17H2,1-3H3,(H,37,41)(H,38,42);1-10,15-19H,11-14,30H2,(H,33,36);1-6,11-13H,7-10H2,(H,24,25);4-9H,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid?
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid has a molecular weight of 1930.35 g/mol, XLogP of 17.36, 19 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxamide;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carbonyl]amino]-4-thiophen-2-ylphenyl]carbamate;2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 157107618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).