4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide

C18H26N2O4S — CID 55659470

IUPAC4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c21-18(19-13-15-9-12-24-14-15)16-5-7-17(8-6-16)25(22,23)20-10-3-1-2-4-11-20/h5-8,15H,1-4,9-14H2,(H,19,21)
InChIKeyGZWQMLKCHYWGRN-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.02
Rot. Bonds5

About 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide

4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 55659470) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
PubChem CID55659470
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C18H26N2O4S/c21-18(19-13-15-9-12-24-14-15)16-5-7-17(8-6-16)25(22,23)20-10-3-1-2-4-11-20/h5-8,15H,1-4,9-14H2,(H,19,21)
InChIKeyGZWQMLKCHYWGRN-UHFFFAOYSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
2-methyl-1-(oxolan-3-ylmethyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 119150974
N-(oxolan-3-ylmethyl)-3-thiomorpholin-4-ylsulfonylbenzamide
CID 74241225
N-(2-morpholin-4-yl-2-oxoethyl)-4-piperidin-1-ylsulfonylbenzamide
CID 112991295
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
N-(1-adamantylmethyl)-4-(azepan-1-ylsulfonyl)benzamide
CID 7921319
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
4-morpholin-4-ylsulfonyl-N-(oxolan-3-yl)benzamide
CID 110868803
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide (CID 55659470) is 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide is O=C(NCC1CCOC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is GZWQMLKCHYWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c21-18(19-13-15-9-12-24-14-15)16-5-7-17(8-6-16)25(22,23)20-10-3-1-2-4-11-20/h5-8,15H,1-4,9-14H2,(H,19,21).
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide?
4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 366.48 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 55659470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).