(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

C24H25ClN2O3S — CID 100783863

IUPAC(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)N[C@@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-31(29,30)26-23(21-12-14-22(25)15-13-21)16-24(28)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1
InChIKeyXDFUVRVLGONHML-QHCPKHFHSA-N
MW457.00 g/mol
LogP4.55
Rot. Bonds9

About (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide

(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (PubChem CID 100783863) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.

Molecular Properties

Compound Name(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
PubChem CID100783863
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
SMILESCS(=O)(=O)N[C@@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClN2O3S/c1-31(29,30)26-23(21-12-14-22(25)15-13-21)16-24(28)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1
InChIKeyXDFUVRVLGONHML-QHCPKHFHSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.00
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N,N-dibenzyl-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784499
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-phenylbutan-2-yl)propanamide
CID 133255349
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 100783987
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255242
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263
(3S)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100783355
N-(4-acetamidophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 133255322
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 133255288
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The IUPAC name of (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide (CID 100783863) is (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide.
What is the SMILES notation for (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The canonical SMILES for (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is CS(=O)(=O)N[C@@H](CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
The InChIKey is XDFUVRVLGONHML-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-31(29,30)26-23(21-12-14-22(25)15-13-21)16-24(28)27(17-19-8-4-2-5-9-19)18-20-10-6-3-7-11-20/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide?
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide has a molecular weight of 457.00 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide is sourced from PubChem (CID 100783863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).