N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide

C20H26N2O3S — CID 113057370

IUPACN-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1C
InChIInChI=1S/C20H26N2O3S/c1-15(2)18-9-11-19(12-10-18)26(24,25)21-13-14-22(17(4)23)20-8-6-5-7-16(20)3/h5-12,15,21H,13-14H2,1-4H3
InChIKeyNKOQCIFDDLOVHS-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.45
Rot. Bonds7

About N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide

N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 113057370) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
PubChem CID113057370
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1C
InChIInChI=1S/C20H26N2O3S/c1-15(2)18-9-11-19(12-10-18)26(24,25)21-13-14-22(17(4)23)20-8-6-5-7-16(20)3/h5-12,15,21H,13-14H2,1-4H3
InChIKeyNKOQCIFDDLOVHS-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355
N-(4-ethylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 113058470
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113061066
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-(2-ethylphenyl)acetamide
CID 113058359
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]-N-(pyridin-2-ylmethyl)acetamide
CID 113055244
N-(2-ethylphenyl)-N-[2-[(4-fluoro-3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113058367
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113058673
N-(4-chloro-2-methylphenyl)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]acetamide
CID 113059951
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057237
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872
N-(2-propan-2-ylphenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113058664
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide (CID 113057370) is N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc1C.
What is the InChIKey of N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is NKOQCIFDDLOVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)18-9-11-19(12-10-18)26(24,25)21-13-14-22(17(4)23)20-8-6-5-7-16(20)3/h5-12,15,21H,13-14H2,1-4H3.
What are the key properties of N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide?
N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 113057370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).