4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide

C29H27NO3S — CID 161184780

IUPAC4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(N(CC(=O)Cc2ccccc2-c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H27NO3S/c1-22-12-16-26(17-13-22)30(34(32,33)28-18-14-23(2)15-19-28)21-27(31)20-25-10-6-7-11-29(25)24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3
InChIKeySPQLMFFPJNXLPQ-UHFFFAOYSA-N
MW469.61 g/mol
LogP5.98
Rot. Bonds8

About 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide

4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide (PubChem CID 161184780) has the molecular formula C29H27NO3S and a molecular weight of 469.61 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide
PubChem CID161184780
Molecular FormulaC29H27NO3S
Molecular Weight469.61 g/mol
Exact Mass469.17
IUPAC Name4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide
SMILESCc1ccc(N(CC(=O)Cc2ccccc2-c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H27NO3S/c1-22-12-16-26(17-13-22)30(34(32,33)28-18-14-23(2)15-19-28)21-27(31)20-25-10-6-7-11-29(25)24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3
InChIKeySPQLMFFPJNXLPQ-UHFFFAOYSA-N
XLogP5.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.61
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-2-oxopropyl]benzoate
CID 160873302
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylphenyl)acetamide
CID 4541167
2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)-N-(2-phenylphenyl)acetamide
CID 126415624
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
CID 50889911
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N-(2-ethyl-6-methylphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126124965
N-[(2-fluorophenyl)methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 53279394
2-(N-(4-tert-butylphenyl)sulfonyl-4-methylanilino)acetic acid
CID 58978369
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-(chloromethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 69007007

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide (CID 161184780) is 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide is Cc1ccc(N(CC(=O)Cc2ccccc2-c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide?
The InChIKey is SPQLMFFPJNXLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3S/c1-22-12-16-26(17-13-22)30(34(32,33)28-18-14-23(2)15-19-28)21-27(31)20-25-10-6-7-11-29(25)24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide?
4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide has a molecular weight of 469.61 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-[2-oxo-3-(2-phenylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 161184780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).