(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide

C24H25ClN2O4S — CID 28539074

IUPAC(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-16-8-7-9-17(2)23(16)26-24(28)21(14-18-10-5-4-6-11-18)27-32(29,30)19-12-13-22(31-3)20(25)15-19/h4-13,15,21,27H,14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeySUXRKYMYIMATFC-OAQYLSRUSA-N
MW472.99 g/mol
LogP4.49
Rot. Bonds8

About (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide

(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide (PubChem CID 28539074) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
PubChem CID28539074
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1Cl
InChIInChI=1S/C24H25ClN2O4S/c1-16-8-7-9-17(2)23(16)26-24(28)21(14-18-10-5-4-6-11-18)27-32(29,30)19-12-13-22(31-3)20(25)15-19/h4-13,15,21,27H,14H2,1-3H3,(H,26,28)/t21-/m1/s1
InChIKeySUXRKYMYIMATFC-OAQYLSRUSA-N
XLogP4.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871402
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(3-chlorophenyl)-3-phenylpropanamide
CID 28539138
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
(2S)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541699
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 28538282
(2R)-N-(2-ethyl-6-methylphenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541697
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860936
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870877
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 30143159
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 28539179
(2S)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94860915
(2S)-N-(2-chlorophenyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28541743

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide (CID 28539074) is (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide is COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2c(C)cccc2C)cc1Cl.
What is the InChIKey of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide?
The InChIKey is SUXRKYMYIMATFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-16-8-7-9-17(2)23(16)26-24(28)21(14-18-10-5-4-6-11-18)27-32(29,30)19-12-13-22(31-3)20(25)15-19/h4-13,15,21,27H,14H2,1-3H3,(H,26,28)/t21-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide?
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide has a molecular weight of 472.99 g/mol, XLogP of 4.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 28539074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).