N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide

C16H23NOS — CID 132760057

IUPACN-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-12-8-10-15(11-9-12)19-13(2)16(18)17(3)14-6-4-5-7-14/h8-11,13-14H,4-7H2,1-3H3
InChIKeyYQRZWCFBROMUDH-UHFFFAOYSA-N
MW277.43 g/mol
LogP3.88
Rot. Bonds4

About N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide

N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 132760057) has the molecular formula C16H23NOS and a molecular weight of 277.43 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID132760057
Molecular FormulaC16H23NOS
Molecular Weight277.43 g/mol
Exact Mass277.15
IUPAC NameN-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(SC(C)C(=O)N(C)C2CCCC2)cc1
InChIInChI=1S/C16H23NOS/c1-12-8-10-15(11-9-12)19-13(2)16(18)17(3)14-6-4-5-7-14/h8-11,13-14H,4-7H2,1-3H3
InChIKeyYQRZWCFBROMUDH-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-aminocyclohexyl)-N-methyl-2-(4-methylphenyl)sulfanylpropanamide
CID 170897786
N-methyl-2-(4-methylphenyl)sulfanyl-N-[4-(prop-2-enoylamino)cyclohexyl]propanamide
CID 154875310
2-amino-N-cyclopentyl-N-methyl-2-(4-methylphenyl)acetamide
CID 106151212
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443070
N-(3-aminocyclobutyl)-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 166261418
(2R)-N-cyclopentyl-N-methyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 92679401
N-cyclohexyl-N-methyl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide
CID 78760597
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenyl)sulfanyl-N-methylpropanamide
CID 8740701
2-(4-acetamidophenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide
CID 119552617
N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
CID 122142928
(2R)-N-cyclohexyl-2-(1H-imidazol-2-ylsulfanyl)-N-methylpropanamide
CID 124507045
2-(4-methoxyphenyl)sulfanyl-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119550046

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide (CID 132760057) is N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(SC(C)C(=O)N(C)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is YQRZWCFBROMUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NOS/c1-12-8-10-15(11-9-12)19-13(2)16(18)17(3)14-6-4-5-7-14/h8-11,13-14H,4-7H2,1-3H3.
What are the key properties of N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide?
N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 277.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 132760057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).