N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide

C20H26N2O3S — CID 113054288

IUPACN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)c(C)c1)Cc1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-6-5-7-19(12-15)14-22(18(4)23)11-10-21-26(24,25)20-9-8-16(2)17(3)13-20/h5-9,12-13,21H,10-11,14H2,1-4H3
InChIKeyGBDYXOUTSTXZJC-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.94
Rot. Bonds7

About N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide (PubChem CID 113054288) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
PubChem CID113054288
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C)c(C)c1)Cc1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-15-6-5-7-19(12-15)14-22(18(4)23)11-10-21-26(24,25)20-9-8-16(2)17(3)13-20/h5-9,12-13,21H,10-11,14H2,1-4H3
InChIKeyGBDYXOUTSTXZJC-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054409
N-[(2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113054618
N-(2,6-difluorophenyl)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064567
N-(3-methylbutyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056912
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113055801
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055375
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219
4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066743
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-N-(pyridin-3-ylmethyl)acetamide
CID 113055400
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113054619
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(3-methylphenyl)propanamide
CID 113118627
N-(3-chloro-4-methylphenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060046

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide (CID 113054288) is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C)c(C)c1)Cc1cccc(C)c1.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide?
The InChIKey is GBDYXOUTSTXZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-6-5-7-19(12-15)14-22(18(4)23)11-10-21-26(24,25)20-9-8-16(2)17(3)13-20/h5-9,12-13,21H,10-11,14H2,1-4H3.
What are the key properties of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide?
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide is sourced from PubChem (CID 113054288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).