N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide

C15H17N3O3S2 — CID 2813204

IUPACN-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C15H17N3O3S2/c19-15-12(6-2-4-10-17-15)18-23(20,21)14-8-7-13(22-14)11-5-1-3-9-16-11/h1,3,5,7-9,12,18H,2,4,6,10H2,(H,17,19)
InChIKeyXERCIOAOXFGJIX-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.76
Rot. Bonds4

About N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide

N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide (PubChem CID 2813204) has the molecular formula C15H17N3O3S2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide
PubChem CID2813204
Molecular FormulaC15H17N3O3S2
Molecular Weight351.45 g/mol
Exact Mass351.07
IUPAC NameN-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide
SMILESO=C1NCCCCC1NS(=O)(=O)c1ccc(-c2ccccn2)s1
InChIInChI=1S/C15H17N3O3S2/c19-15-12(6-2-4-10-17-15)18-23(20,21)14-8-7-13(22-14)11-5-1-3-9-16-11/h1,3,5,7-9,12,18H,2,4,6,10H2,(H,17,19)
InChIKeyXERCIOAOXFGJIX-UHFFFAOYSA-N
XLogP1.76
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-hydroxy-2,2-dimethyl-4-(5-pyridin-2-ylthiophen-2-yl)sulfonyl-1,4-thiazepane-3-carboxamide
CID 10788617
N-[(2S)-3,4-dioxo-1-phenyl-4-[2-[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]ethylamino]butan-2-yl]-4-methylpentanamide
CID 44315859
(S)-3-(3-Methyl-butyrylamino)-2-oxo-4-phenyl-N-[2-(5-pyridin-2-yl-thiophene-2-sulfonylamino)-ethyl]-butyramide
CID 44315869
(S)-3-(4-Aminomethyl-phenyl)-N-cyclopentyl-N-methyl-2-(5-pyridin-2-yl-thiophene-2-sulfonylamino)-propionamide
CID 44319941
2-(benzylsulfonylamino)-4-(1-oxidopyridin-1-ium-2-yl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]butanamide
CID 44426222
N-(pyridin-2-ylmethyl)-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3239635
N-{[1-(3-pyridin-2-ylpropanoyl)piperidin-3-yl]methyl}thiophene-2-sulfonamide
CID 16189534
(S)-3-Isobutyrylamino-2-oxo-4-phenyl-N-[2-(5-pyridin-2-yl-thiophene-2-sulfonylamino)-ethyl]-butyramide
CID 44316175
(S)-2-Oxo-4-phenyl-3-(4-phenyl-butyrylamino)-N-[2-(5-pyridin-2-yl-thiophene-2-sulfonylamino)-ethyl]-butyramide
CID 44316248
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 4398475
7-Phenyl-8-[(pyridin-4-YL)methyl]-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
CID 110201974
N-[(3S)-2-oxo-1-[2-(pyridin-4-ylamino)ethyl]pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide
CID 44265427

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The IUPAC name of N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide (CID 2813204) is N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide is O=C1NCCCCC1NS(=O)(=O)c1ccc(-c2ccccn2)s1.
What is the InChIKey of N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide?
The InChIKey is XERCIOAOXFGJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S2/c19-15-12(6-2-4-10-17-15)18-23(20,21)14-8-7-13(22-14)11-5-1-3-9-16-11/h1,3,5,7-9,12,18H,2,4,6,10H2,(H,17,19).
What are the key properties of N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide?
N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide has a molecular weight of 351.45 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)-5-pyridin-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 2813204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).