5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide

C19H30N2O4S — CID 25162667

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC
InChIInChI=1S/C19H30N2O4S/c1-4-9-15(2)20-19(22)17-14-16(10-11-18(17)25-3)26(23,24)21-12-7-5-6-8-13-21/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22)
InChIKeyLWARTRYQRUSCLN-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.18
Rot. Bonds7

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

5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide (PubChem CID 25162667) 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-pentan-2-ylbenzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide
PubChem CID25162667
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC
InChIInChI=1S/C19H30N2O4S/c1-4-9-15(2)20-19(22)17-14-16(10-11-18(17)25-3)26(23,24)21-12-7-5-6-8-13-21/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22)
InChIKeyLWARTRYQRUSCLN-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide (CID 25162667) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide?
The InChIKey is LWARTRYQRUSCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-4-9-15(2)20-19(22)17-14-16(10-11-18(17)25-3)26(23,24)21-12-7-5-6-8-13-21/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22).
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide has a molecular weight of 382.53 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-pentan-2-ylbenzamide is sourced from PubChem (CID 25162667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).