5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide

C19H24N2O4S — CID 53281766

IUPAC5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccco1
InChIInChI=1S/C19H24N2O4S/c1-15-8-9-17(26(23,24)21-10-4-2-3-5-11-21)13-18(15)19(22)20-14-16-7-6-12-25-16/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,20,22)
InChIKeyJKMHLVNJTWTRTG-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.08
Rot. Bonds5

About 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide

5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide (PubChem CID 53281766) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
PubChem CID53281766
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccco1
InChIInChI=1S/C19H24N2O4S/c1-15-8-9-17(26(23,24)21-10-4-2-3-5-11-21)13-18(15)19(22)20-14-16-7-6-12-25-16/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,20,22)
InChIKeyJKMHLVNJTWTRTG-UHFFFAOYSA-N
XLogP3.08
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
N-(furan-2-ylmethyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2335111
N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
CID 24539616
2-chloro-N-(furan-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1107138
N-(furan-2-ylmethyl)-1-methyl-5-piperidin-1-ylsulfonylindole-2-carboxamide
CID 22579710
2-chloro-N-(furan-2-ylmethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387560
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281859
2-chloro-N-[(5-methylfuran-2-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387394
N-(furan-2-ylmethyl)-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 51160479

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide (CID 53281766) is 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCc1ccco1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide?
The InChIKey is JKMHLVNJTWTRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-15-8-9-17(26(23,24)21-10-4-2-3-5-11-21)13-18(15)19(22)20-14-16-7-6-12-25-16/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,20,22).
What are the key properties of 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide?
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide has a molecular weight of 376.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide is sourced from PubChem (CID 53281766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).