2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide

C18H21ClN2O3S — CID 110354795

IUPAC2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
SMILESCNS(=O)(=O)CCNC(=O)C(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-20-25(23,24)12-11-21-18(22)17(13-14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)
InChIKeySDCNYFVMPCOIEN-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.33
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide

2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide (PubChem CID 110354795) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
PubChem CID110354795
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC Name2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide
SMILESCNS(=O)(=O)CCNC(=O)C(Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H21ClN2O3S/c1-20-25(23,24)12-11-21-18(22)17(13-14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17,20H,11-13H2,1H3,(H,21,22)
InChIKeySDCNYFVMPCOIEN-UHFFFAOYSA-N
XLogP2.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-chlorophenyl)-4-phenylbutan-2-one
CID 125485256
2-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpropanamide
CID 110355487
2-(4-chlorophenyl)-3-phenyl-N-(3-propylphenyl)sulfonylpropanamide
CID 166322960
2-cyano-N-[2-(methylsulfamoyl)ethyl]-2-phenylacetamide
CID 106337642
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
benzyl N-[2-(methylsulfamoyl)ethyl]carbamate
CID 110292911
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
2-(4-chlorophenyl)-N-pentyl-3-pyridin-4-ylpropanamide
CID 110296865
1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
(2S)-N-(4-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 793554
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide (CID 110354795) is 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide is CNS(=O)(=O)CCNC(=O)C(Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide?
The InChIKey is SDCNYFVMPCOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-20-25(23,24)12-11-21-18(22)17(13-14-5-3-2-4-6-14)15-7-9-16(19)10-8-15/h2-10,17,20H,11-13H2,1H3,(H,21,22).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide?
2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide has a molecular weight of 380.90 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(methylsulfamoyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 110354795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).