N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide

C15H22ClNOS — CID 86954292

IUPACN-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
SMILESCCSCCC(=O)NC(c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H22ClNOS/c1-4-19-10-9-14(18)17-15(11(2)3)12-7-5-6-8-13(12)16/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyKZUDFJYOPFCSRE-UHFFFAOYSA-N
MW299.87 g/mol
LogP4.30
Rot. Bonds7

About N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide

N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide (PubChem CID 86954292) has the molecular formula C15H22ClNOS and a molecular weight of 299.87 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
PubChem CID86954292
Molecular FormulaC15H22ClNOS
Molecular Weight299.87 g/mol
Exact Mass299.11
IUPAC NameN-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide
SMILESCCSCCC(=O)NC(c1ccccc1Cl)C(C)C
InChIInChI=1S/C15H22ClNOS/c1-4-19-10-9-14(18)17-15(11(2)3)12-7-5-6-8-13(12)16/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,18)
InChIKeyKZUDFJYOPFCSRE-UHFFFAOYSA-N
XLogP4.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119327061
1-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836525
1-[(1S)-1-(2-chlorophenyl)-2-methylpropyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836526
2-(4-acetylphenoxy)-N-[1-(2-chlorophenyl)-2-methylpropyl]acetamide
CID 86954296
4-[[1-(2-chlorophenyl)-2-methylpropyl]carbamoylamino]butanoic acid
CID 122002394
N-[(2S)-butan-2-yl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 94336047
1-[1-(2-chlorophenyl)-2-methylpropyl]-3-(3-hydroxybutyl)urea
CID 111414339
N-[1-(2-chlorophenyl)ethyl]heptanamide
CID 57313827
N-[1-(2-chlorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 115666747
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
N-[1-(2-chlorophenyl)-2-methylpropyl]-5-oxopyrrolidine-3-carboxamide
CID 136525993
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-methylpropyl]-1,4-dioxane-2-carboxamide
CID 96550242

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide (CID 86954292) is N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide is CCSCCC(=O)NC(c1ccccc1Cl)C(C)C.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide?
The InChIKey is KZUDFJYOPFCSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNOS/c1-4-19-10-9-14(18)17-15(11(2)3)12-7-5-6-8-13(12)16/h5-8,11,15H,4,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide?
N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide has a molecular weight of 299.87 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-methylpropyl]-3-ethylsulfanylpropanamide is sourced from PubChem (CID 86954292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).