N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C32H34N2O3S — CID 100782528

IUPACN,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C32H34N2O3S/c1-26-18-19-27(2)31(22-26)38(36,37)34(21-20-28-12-6-3-7-13-28)25-32(35)33(23-29-14-8-4-9-15-29)24-30-16-10-5-11-17-30/h3-19,22H,20-21,23-25H2,1-2H3
InChIKeyOLHVISUIVSFDCU-UHFFFAOYSA-N
MW526.70 g/mol
LogP5.77
Rot. Bonds11

About N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 100782528) has the molecular formula C32H34N2O3S and a molecular weight of 526.70 g/mol. Its IUPAC name is N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID100782528
Molecular FormulaC32H34N2O3S
Molecular Weight526.70 g/mol
Exact Mass526.23
IUPAC NameN,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C32H34N2O3S/c1-26-18-19-27(2)31(22-26)38(36,37)34(21-20-28-12-6-3-7-13-28)25-32(35)33(23-29-14-8-4-9-15-29)24-30-16-10-5-11-17-30/h3-19,22H,20-21,23-25H2,1-2H3
InChIKeyOLHVISUIVSFDCU-UHFFFAOYSA-N
XLogP5.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.70
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N,N-diethylacetamide
CID 100782521
N,N-dibenzyl-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 126067531
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-ethylacetamide
CID 100782288
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782385
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 100782472
N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782435
2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 100782482
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782324
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
N,N-dibenzyl-2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373155
N-[1-(4-chlorophenyl)ethyl]-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 133255072
2-[benzyl-(2,5-dimethylphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100781673

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 100782528) is N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is OLHVISUIVSFDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3S/c1-26-18-19-27(2)31(22-26)38(36,37)34(21-20-28-12-6-3-7-13-28)25-32(35)33(23-29-14-8-4-9-15-29)24-30-16-10-5-11-17-30/h3-19,22H,20-21,23-25H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N,N-dibenzyl-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 526.70 g/mol, XLogP of 5.77, 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-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 100782528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).