2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide

C14H13N5O3S2 — CID 30863985

IUPAC2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ncn[nH]1
InChIInChI=1S/C14H13N5O3S2/c20-12(17-14-15-9-16-18-14)8-10-3-5-11(6-4-10)19-24(21,22)13-2-1-7-23-13/h1-7,9,19H,8H2,(H2,15,16,17,18,20)
InChIKeyDXNDDEGZMMETJD-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.85
Rot. Bonds6

About 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide

2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30863985) has the molecular formula C14H13N5O3S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30863985
Molecular FormulaC14H13N5O3S2
Molecular Weight363.42 g/mol
Exact Mass363.05
IUPAC Name2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESO=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ncn[nH]1
InChIInChI=1S/C14H13N5O3S2/c20-12(17-14-15-9-16-18-14)8-10-3-5-11(6-4-10)19-24(21,22)13-2-1-7-23-13/h1-7,9,19H,8H2,(H2,15,16,17,18,20)
InChIKeyDXNDDEGZMMETJD-UHFFFAOYSA-N
XLogP1.85
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
2-(thiophen-2-ylsulfonylamino)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 25038247
N-(3-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39191280
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30865647
N-(3-fluorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39267237
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 55814190
N-(2,5-diethoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39678609

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30863985) is 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide is O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ncn[nH]1.
What is the InChIKey of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is DXNDDEGZMMETJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3S2/c20-12(17-14-15-9-16-18-14)8-10-3-5-11(6-4-10)19-24(21,22)13-2-1-7-23-13/h1-7,9,19H,8H2,(H2,15,16,17,18,20).
What are the key properties of 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophen-2-ylsulfonylamino)phenyl]-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30863985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).