4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide

C19H28N2O3S — CID 24656041

IUPAC4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15(16-7-8-16)20(2)19(22)17-9-11-18(12-10-17)25(23,24)21-13-5-3-4-6-14-21/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyIYTFPLGUUQUZEF-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.12
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide

4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide (PubChem CID 24656041) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide
PubChem CID24656041
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C19H28N2O3S/c1-15(16-7-8-16)20(2)19(22)17-9-11-18(12-10-17)25(23,24)21-13-5-3-4-6-14-21/h9-12,15-16H,3-8,13-14H2,1-2H3
InChIKeyIYTFPLGUUQUZEF-UHFFFAOYSA-N
XLogP3.12
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-piperidin-1-ylsulfonyl-N-(1-thiophen-2-ylethyl)benzamide
CID 24552647
N-[1-(4-chlorophenyl)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 46580547
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
N-(dicyclopropylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18146405
4-(azepan-1-ylsulfonyl)-N',N'-dimethylbenzohydrazide
CID 9163758
N-[(1S)-1-cyclopropylethyl]-4-(difluoromethylsulfonylmethyl)-N-methylbenzamide
CID 96801144
N,N-dimethyl-4-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 24580834
N-benzyl-N-propan-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51180384
N-(4-methylphenyl)-N-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-1-carboxamide
CID 16804331
N-[2-(dimethylamino)-3-methylbutyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 24650096
methyl 4-piperidin-1-ylsulfonylbenzoate
CID 1428549
N-[(1R)-1-cyclopropylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8817025

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide (CID 24656041) is 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide is CC(C1CC1)N(C)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide?
The InChIKey is IYTFPLGUUQUZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15(16-7-8-16)20(2)19(22)17-9-11-18(12-10-17)25(23,24)21-13-5-3-4-6-14-21/h9-12,15-16H,3-8,13-14H2,1-2H3.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide?
4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide has a molecular weight of 364.51 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(1-cyclopropylethyl)-N-methylbenzamide is sourced from PubChem (CID 24656041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).