1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide

C15H20ClNO2S — CID 71915004

IUPAC1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2S/c1-10(13(9-18)20-2)17-14(19)15(6-7-15)11-4-3-5-12(16)8-11/h3-5,8,10,13,18H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyFYOQYIWQLRLJCZ-UHFFFAOYSA-N
MW313.85 g/mol
LogP2.60
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide (PubChem CID 71915004) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
PubChem CID71915004
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2S/c1-10(13(9-18)20-2)17-14(19)15(6-7-15)11-4-3-5-12(16)8-11/h3-5,8,10,13,18H,6-7,9H2,1-2H3,(H,17,19)
InChIKeyFYOQYIWQLRLJCZ-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 103801488
1-(3-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
CID 110438189
trans-(1R,2R)-2-(3-chlorophenyl)-N-[(2S,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]cyclopropane-1-carboxamide
CID 124778353
1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 56812614
N-[(2S)-1-aminopropan-2-yl]-4-(3-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120507442
1-(3-chlorophenyl)-N-[1-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 47167781
1-(3-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 94094208
1-(3-chlorophenyl)-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]cyclopropane-1-carboxamide
CID 94817943
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)cyclopentane-1-carboxamide
CID 47798035
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide (CID 71915004) is 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide is CSC(CO)C(C)NC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is FYOQYIWQLRLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-10(13(9-18)20-2)17-14(19)15(6-7-15)11-4-3-5-12(16)8-11/h3-5,8,10,13,18H,6-7,9H2,1-2H3,(H,17,19).
What are the key properties of 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 313.85 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 71915004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).