N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C31H32N2O3S — CID 126067531

IUPACN,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C31H32N2O3S/c1-26-17-19-30(20-18-26)37(35,36)33(22-21-27-11-5-2-6-12-27)25-31(34)32(23-28-13-7-3-8-14-28)24-29-15-9-4-10-16-29/h2-20H,21-25H2,1H3
InChIKeyWBKSIVXRFQOJIO-UHFFFAOYSA-N
MW512.68 g/mol
LogP5.46
Rot. Bonds11

About N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 126067531) has the molecular formula C31H32N2O3S and a molecular weight of 512.68 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID126067531
Molecular FormulaC31H32N2O3S
Molecular Weight512.68 g/mol
Exact Mass512.21
IUPAC NameN,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C31H32N2O3S/c1-26-17-19-30(20-18-26)37(35,36)33(22-21-27-11-5-2-6-12-27)25-31(34)32(23-28-13-7-3-8-14-28)24-29-15-9-4-10-16-29/h2-20H,21-25H2,1H3
InChIKeyWBKSIVXRFQOJIO-UHFFFAOYSA-N
XLogP5.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.68
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782528
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
N-benzyl-2-[butyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4562295
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 1208474
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3904108
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 3437508
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373155
N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4675633
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
N-benzyl-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3612818

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 126067531) is N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is WBKSIVXRFQOJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O3S/c1-26-17-19-30(20-18-26)37(35,36)33(22-21-27-11-5-2-6-12-27)25-31(34)32(23-28-13-7-3-8-14-28)24-29-15-9-4-10-16-29/h2-20H,21-25H2,1H3.
What are the key properties of N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 512.68 g/mol, XLogP of 5.46, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 126067531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).