5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide

C20H26N2O4S — CID 58892109

IUPAC5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(OC)cc1C(=O)N[C@@H](CC)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-4-13-27(24,25)22-19-12-11-16(26-3)14-17(19)20(23)21-18(5-2)15-9-7-6-8-10-15/h6-12,14,18,22H,4-5,13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyARTLMXXSBWNXAL-SFHVURJKSA-N
MW390.51 g/mol
LogP3.73
Rot. Bonds9

About 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide

5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide (PubChem CID 58892109) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide
PubChem CID58892109
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide
SMILESCCCS(=O)(=O)Nc1ccc(OC)cc1C(=O)N[C@@H](CC)c1ccccc1
InChIInChI=1S/C20H26N2O4S/c1-4-13-27(24,25)22-19-12-11-16(26-3)14-17(19)20(23)21-18(5-2)15-9-7-6-8-10-15/h6-12,14,18,22H,4-5,13H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyARTLMXXSBWNXAL-SFHVURJKSA-N
XLogP3.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide;molecular hydrogen
CID 159626973
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
1-(4-methoxy-2-methylphenyl)-3-(1-phenylpropyl)urea
CID 3395267
2-(4-methoxyphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328005
3-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]naphthalene-2-carboxamide
CID 9115734
5-methoxy-2-[(4-methylphenyl)sulfonylamino]-N-[1-(6-methyl-3-pyridinyl)propyl]benzamide
CID 58892006
N-[(1S)-1-(4-methoxyphenyl)propyl]-2-methylbenzamide
CID 28979661
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[(1R)-1-phenylpropyl]acetamide
CID 30396951
5-methoxy-N-[1-(5-methylfuran-2-yl)propyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 58892062
2-ethyl-4,5-dimethoxy-N-(1-phenylpropyl)benzamide
CID 56728765
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755
2-[[2-(propylsulfonylamino)benzoyl]amino]butanoic acid
CID 120523197

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide?
The IUPAC name of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide (CID 58892109) is 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide.
What is the SMILES notation for 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide?
The canonical SMILES for 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide is CCCS(=O)(=O)Nc1ccc(OC)cc1C(=O)N[C@@H](CC)c1ccccc1.
What is the InChIKey of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide?
The InChIKey is ARTLMXXSBWNXAL-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-4-13-27(24,25)22-19-12-11-16(26-3)14-17(19)20(23)21-18(5-2)15-9-7-6-8-10-15/h6-12,14,18,22H,4-5,13H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide?
5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide has a molecular weight of 390.51 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1S)-1-phenylpropyl]-2-(propylsulfonylamino)benzamide is sourced from PubChem (CID 58892109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).