N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C17H18ClNO2S — CID 110004375

IUPACN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)NC(CO)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H18ClNO2S/c1-10-2-7-16(22-10)13-8-14(13)17(21)19-15(9-20)11-3-5-12(18)6-4-11/h2-7,13-15,20H,8-9H2,1H3,(H,19,21)
InChIKeyNXBHOZZCJRTCQW-UHFFFAOYSA-N
MW335.86 g/mol
LogP3.66
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 110004375) has the molecular formula C17H18ClNO2S and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID110004375
Molecular FormulaC17H18ClNO2S
Molecular Weight335.86 g/mol
Exact Mass335.07
IUPAC NameN-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)NC(CO)c2ccc(Cl)cc2)s1
InChIInChI=1S/C17H18ClNO2S/c1-10-2-7-16(22-10)13-8-14(13)17(21)19-15(9-20)11-3-5-12(18)6-4-11/h2-7,13-15,20H,8-9H2,1H3,(H,19,21)
InChIKeyNXBHOZZCJRTCQW-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2,6-dimethyloxane-4-carboxamide
CID 110004493
2-[1-(4-chlorophenyl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974662
trans-(1S,2S)-N-[(1R)-1-[4-(2-ethylbutoxy)phenyl]-2-hydroxyethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348521
methyl 3-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55474994
cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 95271434
N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 111102637
cis-(1R,2S)-N-[(2S)-2-cyanobutan-2-yl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 95317380
trans-(1R,2R)-N-[(1R)-1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 98799539
cis-(1S,2R)-2-(5-methylthiophen-2-yl)-N-[(1R)-3-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]butyl]cyclopropane-1-carboxamide
CID 124840873
trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 95159086
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071554

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 110004375) is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc(C2CC2C(=O)NC(CO)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is NXBHOZZCJRTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2S/c1-10-2-7-16(22-10)13-8-14(13)17(21)19-15(9-20)11-3-5-12(18)6-4-11/h2-7,13-15,20H,8-9H2,1H3,(H,19,21).
What are the key properties of N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110004375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).