4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

C25H27ClN2O4S — CID 100667074

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H27ClN2O4S/c1-5-23(19-8-15-24(32-4)17(2)16-19)27-25(29)18-6-11-21(12-7-18)28(3)33(30,31)22-13-9-20(26)10-14-22/h6-16,23H,5H2,1-4H3,(H,27,29)/t23-/m1/s1
InChIKeyROXOPVBZNGAZHG-HSZRJFAPSA-N
MW487.02 g/mol
LogP5.36
Rot. Bonds8

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (PubChem CID 100667074) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
PubChem CID100667074
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1
InChIInChI=1S/C25H27ClN2O4S/c1-5-23(19-8-15-24(32-4)17(2)16-19)27-25(29)18-6-11-21(12-7-18)28(3)33(30,31)22-13-9-20(26)10-14-22/h6-16,23H,5H2,1-4H3,(H,27,29)/t23-/m1/s1
InChIKeyROXOPVBZNGAZHG-HSZRJFAPSA-N
XLogP5.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.02
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzenesulfonyl(methyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100759380
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
4-[ethyl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100603395
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186397
4-iodo-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100684625
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100683262
4-chloro-2-fluoro-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 100760961
N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680617
N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-4-morpholin-4-ylsulfonylbenzamide
CID 100680604

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide (CID 100667074) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
The InChIKey is ROXOPVBZNGAZHG-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-5-23(19-8-15-24(32-4)17(2)16-19)27-25(29)18-6-11-21(12-7-18)28(3)33(30,31)22-13-9-20(26)10-14-22/h6-16,23H,5H2,1-4H3,(H,27,29)/t23-/m1/s1.
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide has a molecular weight of 487.02 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]benzamide is sourced from PubChem (CID 100667074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).