(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide

C18H19Cl2N3O4S — CID 2539497

IUPAC(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O4S/c19-13-3-1-12(2-4-13)11-22-18(25)16(9-10-17(21)24)23-28(26,27)15-7-5-14(20)6-8-15/h1-8,16,23H,9-11H2,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyLVHQPCGWQYJIBP-INIZCTEOSA-N
MW444.34 g/mol
LogP2.22
Rot. Bonds9

About (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide

(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide (PubChem CID 2539497) has the molecular formula C18H19Cl2N3O4S and a molecular weight of 444.34 g/mol. Its IUPAC name is (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide.

Molecular Properties

Compound Name(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
PubChem CID2539497
Molecular FormulaC18H19Cl2N3O4S
Molecular Weight444.34 g/mol
Exact Mass443.05
IUPAC Name(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
SMILESNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H19Cl2N3O4S/c19-13-3-1-12(2-4-13)11-22-18(25)16(9-10-17(21)24)23-28(26,27)15-7-5-14(20)6-8-15/h1-8,16,23H,9-11H2,(H2,21,24)(H,22,25)/t16-/m0/s1
InChIKeyLVHQPCGWQYJIBP-INIZCTEOSA-N
XLogP2.22
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
(2R)-N-[(4-methoxyphenyl)methyl]-2-(naphthalen-2-ylsulfonylamino)pentanediamide
CID 25484810
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 41374144
2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylsulfanylbutanamide
CID 24575316
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)pentanediamide
CID 2096279
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 43874767
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 3994624
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 25197369
(2R)-N-[(4-chlorophenyl)methyl]-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167399
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]butanamide
CID 3643187

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
The IUPAC name of (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide (CID 2539497) is (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide.
What is the SMILES notation for (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
The canonical SMILES for (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide is NC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
The InChIKey is LVHQPCGWQYJIBP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19Cl2N3O4S/c19-13-3-1-12(2-4-13)11-22-18(25)16(9-10-17(21)24)23-28(26,27)15-7-5-14(20)6-8-15/h1-8,16,23H,9-11H2,(H2,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide?
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide has a molecular weight of 444.34 g/mol, XLogP of 2.22, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide is sourced from PubChem (CID 2539497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).