2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide

C18H28N2O3S2 — CID 112760371

IUPAC2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C18H28N2O3S2/c1-20(15-9-5-3-6-10-15)18(21)17(13-14-24-2)19-25(22,23)16-11-7-4-8-12-16/h4,7-8,11-12,15,17,19H,3,5-6,9-10,13-14H2,1-2H3
InChIKeyZHEYUJWSWLKNTJ-UHFFFAOYSA-N
MW384.57 g/mol
LogP2.88
Rot. Bonds8

About 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide

2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide (PubChem CID 112760371) has the molecular formula C18H28N2O3S2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
PubChem CID112760371
Molecular FormulaC18H28N2O3S2
Molecular Weight384.57 g/mol
Exact Mass384.15
IUPAC Name2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C18H28N2O3S2/c1-20(15-9-5-3-6-10-15)18(21)17(13-14-24-2)19-25(22,23)16-11-7-4-8-12-16/h4,7-8,11-12,15,17,19H,3,5-6,9-10,13-14H2,1-2H3
InChIKeyZHEYUJWSWLKNTJ-UHFFFAOYSA-N
XLogP2.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[(2,5-dichlorophenyl)sulfonylamino]-N-methyl-4-methylsulfanylbutanamide
CID 112803692
2-(benzenesulfonamido)-N,N-diethyl-4-methylsulfanylbutanamide
CID 51149693
N-[1-(3-methylpiperidin-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 51149469
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
2-(benzenesulfonamido)-N-methyl-4-methylsulfanyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]butanamide
CID 55415507
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982765
2-(benzenesulfonamido)-N-[(2-cyclopentyloxyphenyl)methyl]-4-methylsulfanylbutanamide
CID 55930683
[2-(dimethylamino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982744
(2S)-2-(benzenesulfonamido)-N-(4-ethylphenyl)-4-methylsulfanylbutanamide
CID 9212809
N-[1-[4-(methylamino)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide;hydrochloride
CID 119559965
N-[1-[3-(methylaminomethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 119395012
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylsulfanylbutanoic acid
CID 104909826

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide (CID 112760371) is 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide is CSCCC(NS(=O)(=O)c1ccccc1)C(=O)N(C)C1CCCCC1.
What is the InChIKey of 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is ZHEYUJWSWLKNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S2/c1-20(15-9-5-3-6-10-15)18(21)17(13-14-24-2)19-25(22,23)16-11-7-4-8-12-16/h4,7-8,11-12,15,17,19H,3,5-6,9-10,13-14H2,1-2H3.
What are the key properties of 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide?
2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 384.57 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-cyclohexyl-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 112760371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).