3-(benzenesulfonyl)-N-butyl-N-methylpropanamide

C14H21NO3S — CID 110294976

IUPAC3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-3-4-11-15(2)14(16)10-12-19(17,18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyLEIDWFXYUOENAT-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.11
Rot. Bonds7

About 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide

3-(benzenesulfonyl)-N-butyl-N-methylpropanamide (PubChem CID 110294976) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
PubChem CID110294976
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name3-(benzenesulfonyl)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCS(=O)(=O)c1ccccc1
InChIInChI=1S/C14H21NO3S/c1-3-4-11-15(2)14(16)10-12-19(17,18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3
InChIKeyLEIDWFXYUOENAT-UHFFFAOYSA-N
XLogP2.11
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60740141
N-[3-(benzenesulfonyl)propyl]-N-butylbutan-1-amine
CID 71408649
2-[3-(benzenesulfonyl)propanoyl-methylamino]propanoic acid
CID 62627813
(E)-1-(benzenesulfonyl)undec-4-en-3-one
CID 102247032
3-(benzenesulfonyl)-N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methylpropanamide
CID 91842616
N-benzyl-3-(3-chlorophenyl)sulfonyl-N-methylpropanamide
CID 110409524
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
4-[[2-[benzenesulfonyl(methyl)amino]acetyl]-methylamino]butanoic acid
CID 119136438
N-(2-cyanoethyl)-N-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 60707481
N-butyl-N-methyl-3-(1-phenylethylamino)propanamide
CID 109020272
3-(benzenesulfonyl)-N-methyl-N-(quinolin-5-ylmethyl)propanamide
CID 70709829

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide (CID 110294976) is 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)CCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide?
The InChIKey is LEIDWFXYUOENAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-11-15(2)14(16)10-12-19(17,18)13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3.
What are the key properties of 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide?
3-(benzenesulfonyl)-N-butyl-N-methylpropanamide has a molecular weight of 283.39 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-butyl-N-methylpropanamide is sourced from PubChem (CID 110294976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).