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

C21H26N2O3S — CID 1320406

IUPAC2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C21H26N2O3S/c1-16-9-8-14-20(17(16)2)23(15-21(24)22-18-10-6-7-11-18)27(25,26)19-12-4-3-5-13-19/h3-5,8-9,12-14,18H,6-7,10-11,15H2,1-2H3,(H,22,24)
InChIKeyKUUIJYGDAQMAGO-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.56
Rot. Bonds6

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

2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide (PubChem CID 1320406) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide
PubChem CID1320406
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1C
InChIInChI=1S/C21H26N2O3S/c1-16-9-8-14-20(17(16)2)23(15-21(24)22-18-10-6-7-11-18)27(25,26)19-12-4-3-5-13-19/h3-5,8-9,12-14,18H,6-7,10-11,15H2,1-2H3,(H,22,24)
InChIKeyKUUIJYGDAQMAGO-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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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide (CID 1320406) is 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide is Cc1cccc(N(CC(=O)NC2CCCC2)S(=O)(=O)c2ccccc2)c1C.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide?
The InChIKey is KUUIJYGDAQMAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-9-8-14-20(17(16)2)23(15-21(24)22-18-10-6-7-11-18)27(25,26)19-12-4-3-5-13-19/h3-5,8-9,12-14,18H,6-7,10-11,15H2,1-2H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-cyclopentylacetamide?
2-[N-(benzenesulfonyl)-2,3-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)-2,3-dimethylanilino]-N-cyclopentylacetamide is sourced from PubChem (CID 1320406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).