2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

C21H19N5O3S2 — CID 55814190

IUPAC2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C21H19N5O3S2/c27-20(24-19-4-1-3-17(11-19)13-26-15-22-14-23-26)12-16-6-8-18(9-7-16)25-31(28,29)21-5-2-10-30-21/h1-11,14-15,25H,12-13H2,(H,24,27)
InChIKeyBSWCGNMMMCRIPD-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.37
Rot. Bonds8

About 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide

2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (PubChem CID 55814190) has the molecular formula C21H19N5O3S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
PubChem CID55814190
Molecular FormulaC21H19N5O3S2
Molecular Weight453.55 g/mol
Exact Mass453.09
IUPAC Name2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1cccc(Cn2cncn2)c1
InChIInChI=1S/C21H19N5O3S2/c27-20(24-19-4-1-3-17(11-19)13-26-15-22-14-23-26)12-16-6-8-18(9-7-16)25-31(28,29)21-5-2-10-30-21/h1-11,14-15,25H,12-13H2,(H,24,27)
InChIKeyBSWCGNMMMCRIPD-UHFFFAOYSA-N
XLogP3.37
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39191280
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
2-thiophen-2-yl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 36516876
2-[2-(methanesulfonamido)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 75463300
N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
CID 55820522
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
4-hydroxy-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]pentanamide
CID 79205206
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30863985
2,2-dimethyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 61034736
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55813723
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46576758

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide (CID 55814190) is 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1cccc(Cn2cncn2)c1.
What is the InChIKey of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is BSWCGNMMMCRIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S2/c27-20(24-19-4-1-3-17(11-19)13-26-15-22-14-23-26)12-16-6-8-18(9-7-16)25-31(28,29)21-5-2-10-30-21/h1-11,14-15,25H,12-13H2,(H,24,27).
What are the key properties of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide?
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 453.55 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 55814190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).