2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

C24H22ClF3N2O3S — CID 92671427

IUPAC2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H22ClF3N2O3S/c1-16-8-6-7-11-19(16)23(17-9-4-3-5-10-17)29-22(31)15-30(34(2,32)33)21-14-18(24(26,27)28)12-13-20(21)25/h3-14,23H,15H2,1-2H3,(H,29,31)/t23-/m1/s1
InChIKeyVTSNVXNUXUNQLD-HSZRJFAPSA-N
MW510.97 g/mol
LogP5.34
Rot. Bonds7

About 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (PubChem CID 92671427) has the molecular formula C24H22ClF3N2O3S and a molecular weight of 510.97 g/mol. Its IUPAC name is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
PubChem CID92671427
Molecular FormulaC24H22ClF3N2O3S
Molecular Weight510.97 g/mol
Exact Mass510.10
IUPAC Name2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
SMILESCc1ccccc1[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C24H22ClF3N2O3S/c1-16-8-6-7-11-19(16)23(17-9-4-3-5-10-17)29-22(31)15-30(34(2,32)33)21-14-18(24(26,27)28)12-13-20(21)25/h3-14,23H,15H2,1-2H3,(H,29,31)/t23-/m1/s1
InChIKeyVTSNVXNUXUNQLD-HSZRJFAPSA-N
XLogP5.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.97
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3-methyl-1-phenylbutyl)acetamide
CID 43905915
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43885253
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43896298
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 22193695
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 94862279
N-[(R)-(2-methylphenyl)-phenylmethyl]-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 99957493
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]butanamide
CID 43885295
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-(3,5-dimethylphenyl)acetamide
CID 22193721
2-(4-iodo-N-methylsulfonylanilino)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43876173
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43893568
2-[N-(3,4-dimethoxyphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43900572
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 92678174

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide (CID 92671427) is 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is Cc1ccccc1[C@H](NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
The InChIKey is VTSNVXNUXUNQLD-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22ClF3N2O3S/c1-16-8-6-7-11-19(16)23(17-9-4-3-5-10-17)29-22(31)15-30(34(2,32)33)21-14-18(24(26,27)28)12-13-20(21)25/h3-14,23H,15H2,1-2H3,(H,29,31)/t23-/m1/s1.
What are the key properties of 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide?
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide has a molecular weight of 510.97 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide is sourced from PubChem (CID 92671427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).