N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide

C22H26N4O3S2 — CID 11576186

IUPACN-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C22H26N4O3S2/c1-15-13-26(14-16(2)24-15)19-12-17(7-8-20(19)29-3)25-31(27,28)22-10-9-21(30-22)18-6-4-5-11-23-18/h4-12,15-16,24-25H,13-14H2,1-3H3/t15-,16+
InChIKeyOXYJPIGOTKUOGP-IYBDPMFKSA-N
MW458.61 g/mol
LogP3.81
Rot. Bonds6

About N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide

N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 11576186) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID11576186
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC NameN-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1
InChIInChI=1S/C22H26N4O3S2/c1-15-13-26(14-16(2)24-15)19-12-17(7-8-20(19)29-3)25-31(27,28)22-10-9-21(30-22)18-6-4-5-11-23-18/h4-12,15-16,24-25H,13-14H2,1-3H3/t15-,16+
InChIKeyOXYJPIGOTKUOGP-IYBDPMFKSA-N
XLogP3.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

CID 16752684
CID 16752684
5-methoxy-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-6-[(5S)-3,3,5-trimethylpiperazin-1-yl]-2,3-dihydroindole
CID 44444571
N-[5-(cis-3,5-Dimethyl-1-piperazinyl)-2-(methyloxy)phenyl]-5-(2-pyridinyl)-2-thiophenesulfonamide
CID 11525404
N-[5-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 44452825
N-(4-methoxyphenyl)-5-pyridin-2-ylthiophene-2-sulfonamide
CID 578911
N-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-(6-methyl-2-pyridinyl)thiophene-2-sulfonamide
CID 69195371
N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]-2-thiophenesulfonamide
CID 4073130
5-methoxy-6-[(3S)-3-methylpiperazin-1-yl]-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3-dihydroindole
CID 44444566
5-methoxy-6-[(3R)-3-methylpiperazin-1-yl]-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3-dihydroindole
CID 44444568
5-Methoxy-6-piperazin-1-yl-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3-dihydroindole
CID 44444570
5-methoxy-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-6-[(5R)-3,3,5-trimethylpiperazin-1-yl]-2,3-dihydroindole
CID 44444572
6-(3,3-Dimethylpiperazin-1-yl)-5-methoxy-1-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-2,3-dihydroindole
CID 44444574

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide (CID 11576186) is N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(-c3ccccn3)s2)cc1N1C[C@@H](C)N[C@@H](C)C1.
What is the InChIKey of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is OXYJPIGOTKUOGP-IYBDPMFKSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-15-13-26(14-16(2)24-15)19-12-17(7-8-20(19)29-3)25-31(27,28)22-10-9-21(30-22)18-6-4-5-11-23-18/h4-12,15-16,24-25H,13-14H2,1-3H3/t15-,16+.
What are the key properties of N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide?
N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 458.61 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methoxyphenyl]-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 11576186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).