N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide

C24H27N3O4S2 — CID 55764371

IUPACN-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCCCCC2c2ccncc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C24H27N3O4S2/c1-26(33(29,30)24-7-5-17-32-24)20-8-10-21(11-9-20)31-18-23(28)27-16-4-2-3-6-22(27)19-12-14-25-15-13-19/h5,7-15,17,22H,2-4,6,16,18H2,1H3
InChIKeySSGHYHHQXYETGG-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.49
Rot. Bonds7

About N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide

N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide (PubChem CID 55764371) has the molecular formula C24H27N3O4S2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
PubChem CID55764371
Molecular FormulaC24H27N3O4S2
Molecular Weight485.63 g/mol
Exact Mass485.14
IUPAC NameN-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide
SMILESCN(c1ccc(OCC(=O)N2CCCCCC2c2ccncc2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C24H27N3O4S2/c1-26(33(29,30)24-7-5-17-32-24)20-8-10-21(11-9-20)31-18-23(28)27-16-4-2-3-6-22(27)19-12-14-25-15-13-19/h5,7-15,17,22H,2-4,6,16,18H2,1H3
InChIKeySSGHYHHQXYETGG-UHFFFAOYSA-N
XLogP4.49
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetyl]piperidine-2-carboxylate
CID 55733643
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N-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]-N-methylthiophene-2-sulfonamide
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N-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiophene-2-sulfonamide
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N-methyl-N-[4-[2-(4-methylidenepiperidin-1-yl)-2-oxoethoxy]phenyl]thiophene-2-sulfonamide
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methyl 2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetate
CID 42982225
2-(3-methoxyphenoxy)-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
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N-methyl-N-[4-[2-oxo-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethoxy]phenyl]thiophene-2-sulfonamide
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2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]-N-(2-pyrrolidin-1-ylphenyl)acetamide
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2-propan-2-yloxy-1-[(2S)-2-pyridin-4-ylazepan-1-yl]ethanone
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N-ethyl-2-[4-[methyl(thiophen-2-ylsulfonyl)amino]phenoxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide (CID 55764371) is N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide is CN(c1ccc(OCC(=O)N2CCCCCC2c2ccncc2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
The InChIKey is SSGHYHHQXYETGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S2/c1-26(33(29,30)24-7-5-17-32-24)20-8-10-21(11-9-20)31-18-23(28)27-16-4-2-3-6-22(27)19-12-14-25-15-13-19/h5,7-15,17,22H,2-4,6,16,18H2,1H3.
What are the key properties of N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide?
N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide has a molecular weight of 485.63 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[2-oxo-2-(2-pyridin-4-ylazepan-1-yl)ethoxy]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 55764371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).