5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide

C23H30N2O4S — CID 92672265

IUPAC5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-3-21(18-11-7-6-8-12-18)24-23(26)20-17-19(13-14-22(20)29-2)30(27,28)25-15-9-4-5-10-16-25/h6-8,11-14,17,21H,3-5,9-10,15-16H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyHSDNJOPQHFVJJB-OAQYLSRUSA-N
MW430.57 g/mol
LogP4.14
Rot. Bonds7

About 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide

5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide (PubChem CID 92672265) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
PubChem CID92672265
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
SMILESCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-3-21(18-11-7-6-8-12-18)24-23(26)20-17-19(13-14-22(20)29-2)30(27,28)25-15-9-4-5-10-16-25/h6-8,11-14,17,21H,3-5,9-10,15-16H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyHSDNJOPQHFVJJB-OAQYLSRUSA-N
XLogP4.14
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43908141
2-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 93486304
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 30382454
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]propanoic acid
CID 119244112
5-(azepan-1-ylsulfonyl)-N-[2-(butan-2-ylcarbamoyl)phenyl]-2-methoxybenzamide
CID 43882697
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 94012354
2-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 30397953
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671764

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide?
The IUPAC name of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide (CID 92672265) is 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide.
What is the SMILES notation for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide?
The canonical SMILES for 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide is CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)c1ccccc1.
What is the InChIKey of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide?
The InChIKey is HSDNJOPQHFVJJB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-3-21(18-11-7-6-8-12-18)24-23(26)20-17-19(13-14-22(20)29-2)30(27,28)25-15-9-4-5-10-16-25/h6-8,11-14,17,21H,3-5,9-10,15-16H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide?
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 4.14, 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-[(1R)-1-phenylpropyl]benzamide is sourced from PubChem (CID 92672265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).