4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide

C12H18N2O3S2 — CID 6503439

IUPAC4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1
InChIInChI=1S/C12H18N2O3S2/c1-13-12(15)11-8-10(9-18-11)19(16,17)14-6-4-2-3-5-7-14/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyJYFBMBXCAKISFW-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.67
Rot. Bonds3

About 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide

4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide (PubChem CID 6503439) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
PubChem CID6503439
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1
InChIInChI=1S/C12H18N2O3S2/c1-13-12(15)11-8-10(9-18-11)19(16,17)14-6-4-2-3-5-7-14/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyJYFBMBXCAKISFW-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-piperidin-1-ylsulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503269
N-tert-butyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503315
methyl 4-piperidin-1-ylsulfonylthiophene-2-carboxylate
CID 27245285
N-(4-hydroxyphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503247
N-(2,4-dimethylphenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503249
4-[3-[(cyclobutanecarbonylamino)methyl]piperidin-1-yl]sulfonyl-N-methylthiophene-2-carboxamide
CID 131910809
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503288
N-(4-chlorophenyl)-4-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 6503298
4-pyrrolidin-1-ylsulfonyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 6503287
N-(3-bromophenyl)-4-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 171989504
2-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid
CID 6503300
4-(4-methylpiperidin-1-yl)sulfonyl-N-propan-2-ylthiophene-2-carboxamide
CID 6503399

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide (CID 6503439) is 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide?
The InChIKey is JYFBMBXCAKISFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-13-12(15)11-8-10(9-18-11)19(16,17)14-6-4-2-3-5-7-14/h8-9H,2-7H2,1H3,(H,13,15).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide?
4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 6503439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).