5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide

C18H27N3O4S — CID 119450981

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCNC1
InChIInChI=1S/C18H27N3O4S/c1-25-17-7-6-15(26(23,24)21-10-4-2-3-5-11-21)12-16(17)18(22)20-14-8-9-19-13-14/h6-7,12,14,19H,2-5,8-11,13H2,1H3,(H,20,22)
InChIKeyGNVQXKJWPPHLMZ-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.35
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide (PubChem CID 119450981) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
PubChem CID119450981
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCNC1
InChIInChI=1S/C18H27N3O4S/c1-25-17-7-6-15(26(23,24)21-10-4-2-3-5-11-21)12-16(17)18(22)20-14-8-9-19-13-14/h6-7,12,14,19H,2-5,8-11,13H2,1H3,(H,20,22)
InChIKeyGNVQXKJWPPHLMZ-UHFFFAOYSA-N
XLogP1.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119450765
N-cyclooctyl-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590964
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 120556774
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-methoxy-5-piperidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 28591050
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methoxy-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590945
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
5-(azepan-1-ylsulfonyl)-N-(2,3-dihydro-1H-inden-1-yl)-2-methoxybenzamide
CID 55457966
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
5-(1,4-diazepan-1-ylsulfonyl)-2-methoxy-N-methylbenzamide;hydrochloride
CID 154907802
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55407925

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide (CID 119450981) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NC1CCNC1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide?
The InChIKey is GNVQXKJWPPHLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-25-17-7-6-15(26(23,24)21-10-4-2-3-5-11-21)12-16(17)18(22)20-14-8-9-19-13-14/h6-7,12,14,19H,2-5,8-11,13H2,1H3,(H,20,22).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide has a molecular weight of 381.50 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 119450981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).