5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide

C121H111N11O12S5 — CID 123461934

IUPAC5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)s1.Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cncc(C(N)=O)c2)s1.Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cnccc2C)s1.[C-]#[N+]c1ccc(C)c(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c1.[C-]#[N+]c1ccc(C)c(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c1
InChIInChI=1S/C25H24N2O3S.2C25H22N2O2S.C23H21N3O3S.C23H22N2O2S/c1-14-3-8-18(24(26)29)12-19(14)22-9-10-23(31-22)25(30)27-20-13-17(7-4-15(20)2)21(28)11-16-5-6-16;2*1-15-5-9-19(26-3)14-20(15)23-10-11-24(30-23)25(29)27-21-13-18(8-4-16(21)2)22(28)12-17-6-7-17;1-13-2-5-15(19(27)8-14-3-4-14)10-18(13)26-23(29)21-7-6-20(30-21)16-9-17(22(24)28)12-25-11-16;1-14-9-10-24-13-18(14)21-7-8-22(28-21)23(27)25-19-12-17(6-3-15(19)2)20(26)11-16-4-5-16/h3-4,7-10,12-13,16H,5-6,11H2,1-2H3,(H2,26,29)(H,27,30);2*4-5,8-11,13-14,17H,6-7,12H2,1-2H3,(H,27,29);2,5-7,9-12,14H,3-4,8H2,1H3,(H2,24,28)(H,26,29);3,6-10,12-13,16H,4-5,11H2,1-2H3,(H,25,27)
InChIKeyGJSGUMJZCIFFGT-UHFFFAOYSA-N
MW2071.62 g/mol
LogP29.12
Rot. Bonds32

About 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide

5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 123461934) has the molecular formula C121H111N11O12S5 and a molecular weight of 2071.62 g/mol. Its IUPAC name is 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
PubChem CID123461934
Molecular FormulaC121H111N11O12S5
Molecular Weight2071.62 g/mol
Exact Mass2069.70
IUPAC Name5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
SMILESCc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)s1.Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cncc(C(N)=O)c2)s1.Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cnccc2C)s1.[C-]#[N+]c1ccc(C)c(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c1.[C-]#[N+]c1ccc(C)c(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c1
InChIInChI=1S/C25H24N2O3S.2C25H22N2O2S.C23H21N3O3S.C23H22N2O2S/c1-14-3-8-18(24(26)29)12-19(14)22-9-10-23(31-22)25(30)27-20-13-17(7-4-15(20)2)21(28)11-16-5-6-16;2*1-15-5-9-19(26-3)14-20(15)23-10-11-24(30-23)25(29)27-21-13-18(8-4-16(21)2)22(28)12-17-6-7-17;1-13-2-5-15(19(27)8-14-3-4-14)10-18(13)26-23(29)21-7-6-20(30-21)16-9-17(22(24)28)12-25-11-16;1-14-9-10-24-13-18(14)21-7-8-22(28-21)23(27)25-19-12-17(6-3-15(19)2)20(26)11-16-4-5-16/h3-4,7-10,12-13,16H,5-6,11H2,1-2H3,(H2,26,29)(H,27,30);2*4-5,8-11,13-14,17H,6-7,12H2,1-2H3,(H,27,29);2,5-7,9-12,14H,3-4,8H2,1H3,(H2,24,28)(H,26,29);3,6-10,12-13,16H,4-5,11H2,1-2H3,(H,25,27)
InChIKeyGJSGUMJZCIFFGT-UHFFFAOYSA-N
XLogP29.12
TPSA351.53 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002071.62
LogP ≤ 529.12
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide (CID 123461934) is 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide is Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cc(C(N)=O)ccc2C)s1.Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cncc(C(N)=O)c2)s1.Cc1ccc(C(=O)CC2CC2)cc1NC(=O)c1ccc(-c2cnccc2C)s1.[C-]#[N+]c1ccc(C)c(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c1.[C-]#[N+]c1ccc(C)c(-c2ccc(C(=O)Nc3cc(C(=O)CC4CC4)ccc3C)s2)c1.
What is the InChIKey of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is GJSGUMJZCIFFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S.2C25H22N2O2S.C23H21N3O3S.C23H22N2O2S/c1-14-3-8-18(24(26)29)12-19(14)22-9-10-23(31-22)25(30)27-20-13-17(7-4-15(20)2)21(28)11-16-5-6-16;2*1-15-5-9-19(26-3)14-20(15)23-10-11-24(30-23)25(29)27-21-13-18(8-4-16(21)2)22(28)12-17-6-7-17;1-13-2-5-15(19(27)8-14-3-4-14)10-18(13)26-23(29)21-7-6-20(30-21)16-9-17(22(24)28)12-25-11-16;1-14-9-10-24-13-18(14)21-7-8-22(28-21)23(27)25-19-12-17(6-3-15(19)2)20(26)11-16-4-5-16/h3-4,7-10,12-13,16H,5-6,11H2,1-2H3,(H2,26,29)(H,27,30);2*4-5,8-11,13-14,17H,6-7,12H2,1-2H3,(H,27,29);2,5-7,9-12,14H,3-4,8H2,1H3,(H2,24,28)(H,26,29);3,6-10,12-13,16H,4-5,11H2,1-2H3,(H,25,27).
What are the key properties of 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide?
5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 2071.62 g/mol, XLogP of 29.12, 32 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-carbamoyl-2-methylphenyl)-N-[5-(2-cyclopropylacetyl)-2-methylphenyl]thiophene-2-carboxamide;5-[5-[[5-(2-cyclopropylacetyl)-2-methylphenyl]carbamoyl]thiophen-2-yl]pyridine-3-carboxamide;bis(N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(5-isocyano-2-methylphenyl)thiophene-2-carboxamide);N-[5-(2-cyclopropylacetyl)-2-methylphenyl]-5-(4-methyl-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 123461934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).