N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide

C17H20N2O3S2 — CID 30275091

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccsc1
InChIInChI=1S/C17H20N2O3S2/c20-17(14-8-11-23-13-14)18-15-6-5-7-16(12-15)24(21,22)19-9-3-1-2-4-10-19/h5-8,11-13H,1-4,9-10H2,(H,18,20)
InChIKeyBDDLMCYDKSTLCP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.57
Rot. Bonds4

About N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide

N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide (PubChem CID 30275091) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
PubChem CID30275091
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccsc1
InChIInChI=1S/C17H20N2O3S2/c20-17(14-8-11-23-13-14)18-15-6-5-7-16(12-15)24(21,22)19-9-3-1-2-4-10-19/h5-8,11-13H,1-4,9-10H2,(H,18,20)
InChIKeyBDDLMCYDKSTLCP-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-[3-(azepan-1-ylsulfonyl)phenyl]-3,5-dinitrobenzamide
CID 13098766
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
N-(3-piperidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166192033
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828
5-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-2-carboxamide
CID 36843795
2,6-difluoro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252564
3-(azepan-1-ylsulfonyl)-N-(4-carbamoylphenyl)benzamide
CID 4851259
2-fluoro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759853

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide (CID 30275091) is N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccsc1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide?
The InChIKey is BDDLMCYDKSTLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-17(14-8-11-23-13-14)18-15-6-5-7-16(12-15)24(21,22)19-9-3-1-2-4-10-19/h5-8,11-13H,1-4,9-10H2,(H,18,20).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 30275091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).