2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide

C21H26N2O3S — CID 51345206

IUPAC2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
SMILESCc1cc(C)cc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-12-17(2)14-19(13-16)23(15-21(24)22-18-8-6-7-9-18)27(25,26)20-10-4-3-5-11-20/h3-5,10-14,18H,6-9,15H2,1-2H3,(H,22,24)
InChIKeyIPOWUSBFVWYDMD-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.56
Rot. Bonds6

About 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide

2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide (PubChem CID 51345206) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
PubChem CID51345206
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
SMILESCc1cc(C)cc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-12-17(2)14-19(13-16)23(15-21(24)22-18-8-6-7-9-18)27(25,26)20-10-4-3-5-11-20/h3-5,10-14,18H,6-9,15H2,1-2H3,(H,22,24)
InChIKeyIPOWUSBFVWYDMD-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92679322
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-cycloheptylacetamide
CID 1320768
N-cyclopentyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372290
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-cyclohexylacetamide
CID 1203936
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 99971075
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-cyclopentylacetamide
CID 3139224
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-[[2-[N-(benzenesulfonyl)-3,5-dimethylanilino]acetyl]-benzylamino]-N-cyclohexyl-3-phenylpropanamide
CID 133175607
N-cycloheptyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2982325
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide (CID 51345206) is 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide is Cc1cc(C)cc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide?
The InChIKey is IPOWUSBFVWYDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-12-17(2)14-19(13-16)23(15-21(24)22-18-8-6-7-9-18)27(25,26)20-10-4-3-5-11-20/h3-5,10-14,18H,6-9,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide?
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide has a molecular weight of 386.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide is sourced from PubChem (CID 51345206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).