N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide

C15H23NO2S2 — CID 71991015

IUPACN-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide
SMILESCSCCC(C)NC(=O)c1ccc(S(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO2S2/c1-11(2)20(18)14-7-5-13(6-8-14)15(17)16-12(3)9-10-19-4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyNSFWUABZUHTTQA-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.07
Rot. Bonds7

About N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide

N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide (PubChem CID 71991015) has the molecular formula C15H23NO2S2 and a molecular weight of 313.49 g/mol. Its IUPAC name is N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide
PubChem CID71991015
Molecular FormulaC15H23NO2S2
Molecular Weight313.49 g/mol
Exact Mass313.12
IUPAC NameN-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide
SMILESCSCCC(C)NC(=O)c1ccc(S(=O)C(C)C)cc1
InChIInChI=1S/C15H23NO2S2/c1-11(2)20(18)14-7-5-13(6-8-14)15(17)16-12(3)9-10-19-4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17)
InChIKeyNSFWUABZUHTTQA-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636139
N-(4-hydroxybutan-2-yl)-4-methylsulfanylbenzamide
CID 81043332
5-(4-methylsulfanylbutan-2-ylcarbamoyl)thiophene-2-carboxylic acid
CID 115730420
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide
CID 61180699
6-amino-3-chloro-N-(4-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 113478192
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119298483
(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497560
(2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497555
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 6993422
2-bromo-5-fluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 115636187
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide?
The IUPAC name of N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide (CID 71991015) is N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide.
What is the SMILES notation for N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide?
The canonical SMILES for N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide is CSCCC(C)NC(=O)c1ccc(S(=O)C(C)C)cc1.
What is the InChIKey of N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide?
The InChIKey is NSFWUABZUHTTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S2/c1-11(2)20(18)14-7-5-13(6-8-14)15(17)16-12(3)9-10-19-4/h5-8,11-12H,9-10H2,1-4H3,(H,16,17).
What are the key properties of N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide?
N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide has a molecular weight of 313.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide is sourced from PubChem (CID 71991015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).