(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide

C25H25Cl2N3O4S — CID 25197369

IUPAC(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
SMILESO=C(CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H25Cl2N3O4S/c26-21-12-11-20(15-22(21)27)35(33,34)30-23(25(32)29-17-19-9-5-2-6-10-19)13-14-24(31)28-16-18-7-3-1-4-8-18/h1-12,15,23,30H,13-14,16-17H2,(H,28,31)(H,29,32)/t23-/m0/s1
InChIKeyUEOJTDKWVNWAHF-QHCPKHFHSA-N
MW534.47 g/mol
LogP4.05
Rot. Bonds11

About (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide

(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide (PubChem CID 25197369) has the molecular formula C25H25Cl2N3O4S and a molecular weight of 534.47 g/mol. Its IUPAC name is (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide.

Molecular Properties

Compound Name(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
PubChem CID25197369
Molecular FormulaC25H25Cl2N3O4S
Molecular Weight534.47 g/mol
Exact Mass533.09
IUPAC Name(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
SMILESO=C(CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H25Cl2N3O4S/c26-21-12-11-20(15-22(21)27)35(33,34)30-23(25(32)29-17-19-9-5-2-6-10-19)13-14-24(31)28-16-18-7-3-1-4-8-18/h1-12,15,23,30H,13-14,16-17H2,(H,28,31)(H,29,32)/t23-/m0/s1
InChIKeyUEOJTDKWVNWAHF-QHCPKHFHSA-N
XLogP4.05
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.47
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 43827519
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
methyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5013903
(2S)-N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)sulfonylamino]pentanediamide
CID 2539497
(2S)-2-(benzenesulfonamido)-N-benzyl-4-methylsulfonylbutanamide
CID 9041162
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 43874789
(2S)-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 131855550
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 43871015
ethyl 2-[(3,4-dichlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3798120
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565689

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The IUPAC name of (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide (CID 25197369) is (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide.
What is the SMILES notation for (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The canonical SMILES for (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide is O=C(CC[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NCc1ccccc1)NCc1ccccc1.
What is the InChIKey of (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
The InChIKey is UEOJTDKWVNWAHF-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H25Cl2N3O4S/c26-21-12-11-20(15-22(21)27)35(33,34)30-23(25(32)29-17-19-9-5-2-6-10-19)13-14-24(31)28-16-18-7-3-1-4-8-18/h1-12,15,23,30H,13-14,16-17H2,(H,28,31)(H,29,32)/t23-/m0/s1.
What are the key properties of (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide?
(2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide has a molecular weight of 534.47 g/mol, XLogP of 4.05, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide is sourced from PubChem (CID 25197369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).