2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide

C15H16N2O5S2 — CID 18586190

IUPAC2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H16N2O5S2/c1-16-14(19)12-7-8-23-15(12)17-13(18)9-24(20,21)11-5-3-10(22-2)4-6-11/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKPFLWBZEAYNDKC-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.53
Rot. Bonds6

About 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide

2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide (PubChem CID 18586190) has the molecular formula C15H16N2O5S2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
PubChem CID18586190
Molecular FormulaC15H16N2O5S2
Molecular Weight368.44 g/mol
Exact Mass368.05
IUPAC Name2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C15H16N2O5S2/c1-16-14(19)12-7-8-23-15(12)17-13(18)9-24(20,21)11-5-3-10(22-2)4-6-11/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKPFLWBZEAYNDKC-UHFFFAOYSA-N
XLogP1.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)sulfonyl-N-methylacetamide
CID 47218302
methyl 2-[[2-(4-fluorophenyl)sulfonylacetyl]amino]thiophene-3-carboxylate
CID 7544880
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904
1-(4-methoxyphenyl)sulfonyl-N-[3-(methylcarbamoyl)thiophen-2-yl]piperidine-3-carboxamide
CID 16862939
2-[(2,4-dimethoxybenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 5228480
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)acetamide
CID 27449078
N-methyl-2-(pentanoylamino)thiophene-3-carboxamide
CID 7167243
2-[[2-(4-methoxyphenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43357234
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]thiophene-3-carboxylate
CID 41145970
N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
CID 86992863
ethyl N-[2-[[2-(4-methoxyphenyl)acetyl]amino]thiophene-3-carbonyl]carbamate
CID 8719049

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide (CID 18586190) is 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide is CNC(=O)c1ccsc1NC(=O)CS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide?
The InChIKey is KPFLWBZEAYNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S2/c1-16-14(19)12-7-8-23-15(12)17-13(18)9-24(20,21)11-5-3-10(22-2)4-6-11/h3-8H,9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide?
2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)sulfonylacetyl]amino]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 18586190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).