2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide

C21H26N2O4S — CID 2930136

IUPAC2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-2-17-10-12-18(13-11-17)23(28(25,26)20-8-4-3-5-9-20)16-21(24)22-15-19-7-6-14-27-19/h3-5,8-13,19H,2,6-7,14-16H2,1H3,(H,22,24)
InChIKeyQPGHDJVYESWRPA-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.74
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide

2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2930136) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2930136
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCCc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-2-17-10-12-18(13-11-17)23(28(25,26)20-8-4-3-5-9-20)16-21(24)22-15-19-7-6-14-27-19/h3-5,8-13,19H,2,6-7,14-16H2,1H3,(H,22,24)
InChIKeyQPGHDJVYESWRPA-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide (CID 2930136) is 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide is CCc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is QPGHDJVYESWRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-2-17-10-12-18(13-11-17)23(28(25,26)20-8-4-3-5-9-20)16-21(24)22-15-19-7-6-14-27-19/h3-5,8-13,19H,2,6-7,14-16H2,1H3,(H,22,24).
What are the key properties of 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide?
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 402.52 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2930136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).