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

C24H26N2O3S2 — CID 125063667

IUPAC2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18-9-7-8-12-22(18)24(19-10-5-4-6-11-19)25-23(27)17-26(2)31(28,29)21-15-13-20(30-3)14-16-21/h4-16,24H,17H2,1-3H3,(H,25,27)/t24-/m1/s1
InChIKeyBKVQNTBNRSQMQD-XMMPIXPASA-N
MW454.62 g/mol
LogP4.24
Rot. Bonds8

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

2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 125063667) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID125063667
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1
InChIInChI=1S/C24H26N2O3S2/c1-18-9-7-8-12-22(18)24(19-10-5-4-6-11-19)25-23(27)17-26(2)31(28,29)21-15-13-20(30-3)14-16-21/h4-16,24H,17H2,1-3H3,(H,25,27)/t24-/m1/s1
InChIKeyBKVQNTBNRSQMQD-XMMPIXPASA-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-methylsulfanylphenyl)sulfonylamino]-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 133219172
2-(2-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94864725
N-[(R)-(2,4-dimethylphenyl)-phenylmethyl]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 125063865
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305741
4-[ethyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 94864605
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(3-methylphenyl)-phenylmethyl]acetamide
CID 125063696
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43886580
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(4-fluorophenyl)-phenylmethyl]acetamide
CID 55779481
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303863
2-[N-(benzenesulfonyl)-2-ethylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30303921
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 125053043
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 26085188

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 125063667) is 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is CSc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1.
What is the InChIKey of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is BKVQNTBNRSQMQD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-18-9-7-8-12-22(18)24(19-10-5-4-6-11-19)25-23(27)17-26(2)31(28,29)21-15-13-20(30-3)14-16-21/h4-16,24H,17H2,1-3H3,(H,25,27)/t24-/m1/s1.
What are the key properties of 2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(R)-(2-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-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 125063667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).