N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

C24H25ClN2O4S — CID 43891469

IUPACN-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-31-20-11-13-21(14-12-20)32(29,30)27-23(15-18-7-5-4-6-8-18)24(28)26-19-10-9-17(2)22(25)16-19/h4-14,16,23,27H,3,15H2,1-2H3,(H,26,28)
InChIKeyWUAXBLAODPIQST-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.58
Rot. Bonds9

About N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide

N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 43891469) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID43891469
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-31-20-11-13-21(14-12-20)32(29,30)27-23(15-18-7-5-4-6-8-18)24(28)26-19-10-9-17(2)22(25)16-19/h4-14,16,23,27H,3,15H2,1-2H3,(H,26,28)
InChIKeyWUAXBLAODPIQST-UHFFFAOYSA-N
XLogP4.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-chloro-4-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208439
N-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891489
N-(4-chlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891461
N-(3,5-dichlorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891475
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 30167679
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-(4-ethoxyphenyl)-3-phenylpropanamide
CID 94534114
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 43891448
(2S)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 94863226
N-(3,4-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3335018
dimethyl 5-[[(2R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 94862963
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(3-chloro-4-methoxyphenyl)-3-phenylpropanamide
CID 30166351
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 94863245

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 43891469) is N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is CCOc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is WUAXBLAODPIQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-3-31-20-11-13-21(14-12-20)32(29,30)27-23(15-18-7-5-4-6-8-18)24(28)26-19-10-9-17(2)22(25)16-19/h4-14,16,23,27H,3,15H2,1-2H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide?
N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 472.99 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 43891469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).