N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C18H21NO2S — CID 110921880

IUPACN-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)N(CCO)Cc2ccccc2)s1
InChIInChI=1S/C18H21NO2S/c1-13-7-8-17(22-13)15-11-16(15)18(21)19(9-10-20)12-14-5-3-2-4-6-14/h2-8,15-16,20H,9-12H2,1H3
InChIKeyUESDOTUJJDHMJM-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.18
Rot. Bonds6

About N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 110921880) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID110921880
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc(C2CC2C(=O)N(CCO)Cc2ccccc2)s1
InChIInChI=1S/C18H21NO2S/c1-13-7-8-17(22-13)15-11-16(15)18(21)19(9-10-20)12-14-5-3-2-4-6-14/h2-8,15-16,20H,9-12H2,1H3
InChIKeyUESDOTUJJDHMJM-UHFFFAOYSA-N
XLogP3.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 95277308
N-benzyl-N-(2-hydroxyethyl)-3-methylcyclohexane-1-carboxamide
CID 111477096
1-benzyl-1-(2-hydroxyethyl)-3-[1-(5-methylthiophen-2-yl)propan-2-yl]urea
CID 111439042
N-(2-hydroxy-3-phenylpropyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 111102637
cis-(1S,2R)-N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-[(2S)-2-methylbutyl]-2-phenylcyclopropane-1-carboxamide
CID 93113864
N-benzyl-N-(2-hydroxyethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79600654
N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
cis-(1R,2S)-N-benzyl-N-(2,2-dimethylpropyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95145046
N-[(3-bromophenyl)methyl]-N-(2-hydroxyethyl)-2-methylcyclopropane-1-carboxamide
CID 91653095
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
(2R)-N-benzyl-N-(2-hydroxyethyl)-3-phenyloxirane-2-carboxamide
CID 87277751
cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 124860150

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 110921880) is N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc(C2CC2C(=O)N(CCO)Cc2ccccc2)s1.
What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is UESDOTUJJDHMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-7-8-17(22-13)15-11-16(15)18(21)19(9-10-20)12-14-5-3-2-4-6-14/h2-8,15-16,20H,9-12H2,1H3.
What are the key properties of N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110921880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).