N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide

C18H22N2O3S2 — CID 2992743

IUPACN-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c1-19(25(22,23)17-7-6-14-24-17)16-10-8-15(9-11-16)18(21)20-12-4-2-3-5-13-20/h6-11,14H,2-5,12-13H2,1H3
InChIKeyHNPBLGCBQUXLGA-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.59
Rot. Bonds4

About N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide

N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide (PubChem CID 2992743) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
PubChem CID2992743
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide
SMILESCN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S2/c1-19(25(22,23)17-7-6-14-24-17)16-10-8-15(9-11-16)18(21)20-12-4-2-3-5-13-20/h6-11,14H,2-5,12-13H2,1H3
InChIKeyHNPBLGCBQUXLGA-UHFFFAOYSA-N
XLogP3.59
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-(morpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2988947
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
N-[4-[4-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperazine-1-carbonyl]phenyl]-N-methylbenzenesulfonamide
CID 3119066
N-methyl-4-methylsulfanyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28591462
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
CID 2380780
N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
CID 56537916
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
N-[2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 32771155
N-methyl-4-(4-methylpiperazine-1-carbonyl)-N-phenylbenzenesulfonamide
CID 2473147
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide (CID 2992743) is N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide is CN(c1ccc(C(=O)N2CCCCCC2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is HNPBLGCBQUXLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-19(25(22,23)17-7-6-14-24-17)16-10-8-15(9-11-16)18(21)20-12-4-2-3-5-13-20/h6-11,14H,2-5,12-13H2,1H3.
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide?
N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 378.52 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 2992743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).