5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide

C16H24N2O4S — CID 7971089

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)C
InChIInChI=1S/C16H24N2O4S/c1-17(2)16(19)14-12-13(8-9-15(14)22-3)23(20,21)18-10-6-4-5-7-11-18/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyYDWSJXVLHMNLOC-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.96
Rot. Bonds4

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide (PubChem CID 7971089) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
PubChem CID7971089
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)C
InChIInChI=1S/C16H24N2O4S/c1-17(2)16(19)14-12-13(8-9-15(14)22-3)23(20,21)18-10-6-4-5-7-11-18/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyYDWSJXVLHMNLOC-UHFFFAOYSA-N
XLogP1.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-methoxy-5-piperidin-1-ylsulfonylbenzamide
CID 28590980
5-(azepan-1-ylsulfonyl)-2-methoxy-N-methyl-N-(2-methylpropyl)benzamide
CID 134005830
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
5-(azepan-1-ylsulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylbenzamide
CID 24817034
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 7964116
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methoxy-N-methylbenzamide
CID 18109821
5-(azepan-1-ylsulfonyl)-N-ethyl-N-(4-fluorophenyl)-2-methoxybenzamide
CID 55382547
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
1-[3-(dimethylcarbamoyl)-4-methoxyphenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105767
2-methoxy-N-propyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 27244612

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide (CID 7971089) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide is COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N(C)C.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is YDWSJXVLHMNLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-17(2)16(19)14-12-13(8-9-15(14)22-3)23(20,21)18-10-6-4-5-7-11-18/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.96, 4 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,N-dimethylbenzamide is sourced from PubChem (CID 7971089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).