N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide

C15H23NOS — CID 94006127

IUPACN-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCC[C@@H](C)NC(=O)CCSc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NOS/c1-5-13(4)16-15(17)8-9-18-14-7-6-11(2)12(3)10-14/h6-7,10,13H,5,8-9H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyLHKCWWGUUQXGIV-CYBMUJFWSA-N
MW265.42 g/mol
LogP3.70
Rot. Bonds6

About N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide

N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 94006127) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
PubChem CID94006127
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide
SMILESCC[C@@H](C)NC(=O)CCSc1ccc(C)c(C)c1
InChIInChI=1S/C15H23NOS/c1-5-13(4)16-15(17)8-9-18-14-7-6-11(2)12(3)10-14/h6-7,10,13H,5,8-9H2,1-4H3,(H,16,17)/t13-/m1/s1
InChIKeyLHKCWWGUUQXGIV-CYBMUJFWSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]propanamide
CID 8573456
1-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 8637676
3-(3,4-dimethylphenyl)sulfanyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120832196
3-(3,4-dimethylphenyl)sulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 51247309
3-(3,4-dimethylphenyl)sulfanyl-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65034689
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459
3-(3,4-dimethylphenyl)sulfanyl-N-(4-hydroxypentyl)propanamide
CID 107300545
N-(2-amino-2-methylpropyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119629181
2-propan-2-yloxyethyl 3-(3,4-dimethylphenyl)sulfanylpropanoate
CID 78830378
3-(3,4-dimethylphenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115628128
N-(1-amino-2-methylpropan-2-yl)-3-(3,4-dimethylphenyl)sulfanylpropanamide
CID 119523977
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)sulfanylpropanamide
CID 53278970

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide (CID 94006127) is N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide is CC[C@@H](C)NC(=O)CCSc1ccc(C)c(C)c1.
What is the InChIKey of N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is LHKCWWGUUQXGIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NOS/c1-5-13(4)16-15(17)8-9-18-14-7-6-11(2)12(3)10-14/h6-7,10,13H,5,8-9H2,1-4H3,(H,16,17)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide?
N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 265.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-3-(3,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 94006127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).