(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C25H24ClF3N2O3S — CID 94860823

IUPAC(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1
InChIInChI=1S/C25H24ClF3N2O3S/c1-15-11-16(2)23(17(3)12-15)35(33,34)31-22(13-18-7-5-4-6-8-18)24(32)30-21-14-19(25(27,28)29)9-10-20(21)26/h4-12,14,22,31H,13H2,1-3H3,(H,30,32)/t22-/m0/s1
InChIKeyLCMCZWHJNSIEEJ-QFIPXVFZSA-N
MW524.99 g/mol
LogP5.81
Rot. Bonds7

About (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 94860823) has the molecular formula C25H24ClF3N2O3S and a molecular weight of 524.99 g/mol. Its IUPAC name is (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID94860823
Molecular FormulaC25H24ClF3N2O3S
Molecular Weight524.99 g/mol
Exact Mass524.11
IUPAC Name(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1
InChIInChI=1S/C25H24ClF3N2O3S/c1-15-11-16(2)23(17(3)12-15)35(33,34)31-22(13-18-7-5-4-6-8-18)24(32)30-21-14-19(25(27,28)29)9-10-20(21)26/h4-12,14,22,31H,13H2,1-3H3,(H,30,32)/t22-/m0/s1
InChIKeyLCMCZWHJNSIEEJ-QFIPXVFZSA-N
XLogP5.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.99
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 94860847
3-phenyl-N-[4-(trifluoromethyl)phenyl]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870653
(2S)-N-(3,4-dichlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537513
(2R)-N-(4-chloro-2-methylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537476
(2S)-N-(2,5-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537366
(2R)-N-(4-chlorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537449
(2R)-N-(2,3-dimethylphenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537354
3-phenyl-N-(2,3,4-trifluorophenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870719
(2S)-N-(4-acetamidophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537725
(2R)-N-tert-butyl-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 92646025
N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 43870722
(2R)-N-(3,4-difluorophenyl)-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 28537995

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 94860823) is (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1.
What is the InChIKey of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is LCMCZWHJNSIEEJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24ClF3N2O3S/c1-15-11-16(2)23(17(3)12-15)35(33,34)31-22(13-18-7-5-4-6-8-18)24(32)30-21-14-19(25(27,28)29)9-10-20(21)26/h4-12,14,22,31H,13H2,1-3H3,(H,30,32)/t22-/m0/s1.
What are the key properties of (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 524.99 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 94860823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).