2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide

C24H26N2O3S2 — CID 133219172

IUPAC2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18-8-7-11-20(16-18)24(19-9-5-4-6-10-19)25-23(27)17-26(2)31(28,29)22-14-12-21(30-3)13-15-22/h4-16,24H,17H2,1-3H3,(H,25,27)
InChIKeyKGUHPQNESWASCA-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.24
Rot. Bonds8

About 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide

2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide (PubChem CID 133219172) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
PubChem CID133219172
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18-8-7-11-20(16-18)24(19-9-5-4-6-10-19)25-23(27)17-26(2)31(28,29)22-14-12-21(30-3)13-15-22/h4-16,24H,17H2,1-3H3,(H,25,27)
InChIKeyKGUHPQNESWASCA-UHFFFAOYSA-N
XLogP4.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 125063696
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125063667
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43896796
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 125063865
2-[N-(benzenesulfonyl)anilino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43891859
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897308
2-(4-fluoro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43898808
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43894244
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43897777
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100503817

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide (CID 133219172) is 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide is CSc1ccc(S(=O)(=O)N(C)CC(=O)NC(c2ccccc2)c2cccc(C)c2)cc1.
What is the InChIKey of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is KGUHPQNESWASCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-18-8-7-11-20(16-18)24(19-9-5-4-6-10-19)25-23(27)17-26(2)31(28,29)22-14-12-21(30-3)13-15-22/h4-16,24H,17H2,1-3H3,(H,25,27).
What are the key properties of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide?
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 454.62 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 133219172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).