(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide

C24H26N2O4S — CID 41083072

IUPAC(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-4-20(18-10-6-5-7-11-18)24(27)25-19-15-14-17(2)23(16-19)31(28,29)26-21-12-8-9-13-22(21)30-3/h5-16,20,26H,4H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyRUCPWLMYQXVKGM-FQEVSTJZSA-N
MW438.55 g/mol
LogP4.94
Rot. Bonds8

About (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide

(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide (PubChem CID 41083072) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
PubChem CID41083072
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide
SMILESCC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1
InChIInChI=1S/C24H26N2O4S/c1-4-20(18-10-6-5-7-11-18)24(27)25-19-15-14-17(2)23(16-19)31(28,29)26-21-12-8-9-13-22(21)30-3/h5-16,20,26H,4H2,1-3H3,(H,25,27)/t20-/m0/s1
InChIKeyRUCPWLMYQXVKGM-FQEVSTJZSA-N
XLogP4.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 24642708
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,3-dimethylbenzamide
CID 3879769
N-[2-methoxy-5-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-methylbenzamide
CID 92869374
(2S)-N-[4-methyl-3-[[(2R)-2-phenylbutanoyl]amino]phenyl]-2-phenylbutanamide
CID 7314167
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710
3-(2,5-dimethylphenoxy)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]propanamide
CID 4148036
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
2-fluoro-N-[2-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]benzamide
CID 24642606
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
1-cyclopropyl-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 7942694
1-[(4-methoxyphenyl)methyl]-3-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]thiourea
CID 42992972

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide?
The IUPAC name of (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide (CID 41083072) is (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide is CC[C@H](C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1)c1ccccc1.
What is the InChIKey of (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide?
The InChIKey is RUCPWLMYQXVKGM-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-4-20(18-10-6-5-7-11-18)24(27)25-19-15-14-17(2)23(16-19)31(28,29)26-21-12-8-9-13-22(21)30-3/h5-16,20,26H,4H2,1-3H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide?
(2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide has a molecular weight of 438.55 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-phenylbutanamide is sourced from PubChem (CID 41083072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).