5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide

C19H30N2O4S — CID 134005830

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)CC(C)C
InChIInChI=1S/C19H30N2O4S/c1-15(2)14-20(3)19(22)17-13-16(9-10-18(17)25-4)26(23,24)21-11-7-5-6-8-12-21/h9-10,13,15H,5-8,11-12,14H2,1-4H3
InChIKeyYFCFIIQZULWHHN-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.99
Rot. Bonds6

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 134005830) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID134005830
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)CC(C)C
InChIInChI=1S/C19H30N2O4S/c1-15(2)14-20(3)19(22)17-13-16(9-10-18(17)25-4)26(23,24)21-11-7-5-6-8-12-21/h9-10,13,15H,5-8,11-12,14H2,1-4H3
InChIKeyYFCFIIQZULWHHN-UHFFFAOYSA-N
XLogP2.99
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
CID 7971089
5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
5-(azepan-1-ylsulfonyl)-N-ethyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 55382547
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]propanoic acid
CID 119244112
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7964116
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 30382454
(2-methoxy-2-oxoethyl) 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 16568706

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide (CID 134005830) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)CC(C)C.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is YFCFIIQZULWHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-15(2)14-20(3)19(22)17-13-16(9-10-18(17)25-4)26(23,24)21-11-7-5-6-8-12-21/h9-10,13,15H,5-8,11-12,14H2,1-4H3.
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 382.53 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134005830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).