N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide

C12H17NO3S — CID 21034169

IUPACN-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(2)12(14)13-8-9-17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyLFXWUJNMMCBIAX-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide

N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide (PubChem CID 21034169) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
PubChem CID21034169
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H17NO3S/c1-10(2)12(14)13-8-9-17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChIKeyLFXWUJNMMCBIAX-UHFFFAOYSA-N
XLogP1.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
N-[2-(benzenesulfonyl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 55843820
3-[2-(benzenesulfonyl)ethyl]-1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)urea
CID 87038970
1-[3-(benzenesulfonyl)propyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 95156784
1-[2-(benzenesulfonyl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111065089
1-[2-(benzenesulfonyl)ethyl]-3-(2-methoxy-3-pyridinyl)urea
CID 51085372
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
N-[(2R)-2-(benzenesulfonyl)-2-phenylethyl]-2-methylpropanamide
CID 9184545
N-(2-pyridin-4-ylsulfonylethyl)acetamide
CID 19079196
N-[2-(benzenesulfonyl)ethyl]-4-methylpentan-1-amine
CID 113230159
N-[2-(benzenesulfonyl)ethyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 2765509
2-[2-(benzenesulfonyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181231

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide (CID 21034169) is N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide?
The InChIKey is LFXWUJNMMCBIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-10(2)12(14)13-8-9-17(15,16)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide?
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide has a molecular weight of 255.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 21034169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).