2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide

C15H24N2O3S2 — CID 51149693

IUPAC2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
SMILESCCN(CC)C(=O)C(CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O3S2/c1-4-17(5-2)15(18)14(11-12-21-3)16-22(19,20)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3
InChIKeyZFEJSDRGQYBWMP-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.96
Rot. Bonds9

About 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide (PubChem CID 51149693) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
PubChem CID51149693
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
SMILESCCN(CC)C(=O)C(CCSC)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24N2O3S2/c1-4-17(5-2)15(18)14(11-12-21-3)16-22(19,20)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3
InChIKeyZFEJSDRGQYBWMP-UHFFFAOYSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-methylsulfanylbutanamide
CID 55344100
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
CID 112760371
[2-(dimethylamino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982744
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982750
2-(benzenesulfonamido)-N-methyl-4-methylsulfanyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 55415507
(2R)-2-(benzenesulfonamido)-N-(2-ethyl-6-methylphenyl)-4-methylsulfanylbutanamide
CID 8761233
2-(benzenesulfonamido)-N-[1-(4-ethylphenyl)ethyl]-4-methylsulfanylbutanamide
CID 112762191
2-(benzenesulfonamido)-N-[2-(2-methoxyethoxy)ethyl]-4-methylsulfanylbutanamide
CID 55685228
(2S)-2-(benzenesulfonamido)-N-(3-fluorophenyl)-4-methylsulfanylbutanamide
CID 9412291
(2S)-2-(benzenesulfonamido)-4-methylsulfanyl-N-[(4-sulfamoylphenyl)methyl]butanamide
CID 26709302

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide (CID 51149693) is 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide is CCN(CC)C(=O)C(CCSC)NS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide?
The InChIKey is ZFEJSDRGQYBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-4-17(5-2)15(18)14(11-12-21-3)16-22(19,20)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3.
What are the key properties of 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide has a molecular weight of 344.50 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 51149693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).