4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide

C25H33N3O4S — CID 31397272

IUPAC4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C25H33N3O4S/c29-25(26-24(21-8-4-3-5-9-21)20-27-16-18-32-19-17-27)22-10-12-23(13-11-22)33(30,31)28-14-6-1-2-7-15-28/h3-5,8-13,24H,1-2,6-7,14-20H2,(H,26,29)/t24-/m1/s1
InChIKeySJUWSKJGEYFXJE-XMMPIXPASA-N
MW471.62 g/mol
LogP3.05
Rot. Bonds7

About 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide

4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (PubChem CID 31397272) has the molecular formula C25H33N3O4S and a molecular weight of 471.62 g/mol. Its IUPAC name is 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
PubChem CID31397272
Molecular FormulaC25H33N3O4S
Molecular Weight471.62 g/mol
Exact Mass471.22
IUPAC Name4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
SMILESO=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
InChIInChI=1S/C25H33N3O4S/c29-25(26-24(21-8-4-3-5-9-21)20-27-16-18-32-19-17-27)22-10-12-23(13-11-22)33(30,31)28-14-6-1-2-7-15-28/h3-5,8-13,24H,1-2,6-7,14-20H2,(H,26,29)/t24-/m1/s1
InChIKeySJUWSKJGEYFXJE-XMMPIXPASA-N
XLogP3.05
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.62
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzenesulfonamido)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31429984
4-[methyl(phenyl)sulfamoyl]-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31444660
(2S)-2-phenyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 7059174
4-methylsulfanyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149987
4-acetamido-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166742
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
N-(2-morpholin-4-yl-1-phenylethyl)-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 55431899
4-(acetamidomethyl)-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 18166767
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-[1-(4-methylsulfonylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 133189658
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The IUPAC name of 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide (CID 31397272) is 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide.
What is the SMILES notation for 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The canonical SMILES for 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
The InChIKey is SJUWSKJGEYFXJE-XMMPIXPASA-N. The full InChI is InChI=1S/C25H33N3O4S/c29-25(26-24(21-8-4-3-5-9-21)20-27-16-18-32-19-17-27)22-10-12-23(13-11-22)33(30,31)28-14-6-1-2-7-15-28/h3-5,8-13,24H,1-2,6-7,14-20H2,(H,26,29)/t24-/m1/s1.
What are the key properties of 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide?
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide has a molecular weight of 471.62 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide is sourced from PubChem (CID 31397272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).