trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C18H21NO2S — CID 95159086

IUPACtrans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1
InChIInChI=1S/C18H21NO2S/c1-12-7-8-17(22-12)15-9-16(15)18(20)19-10-13-5-3-4-6-14(13)11-21-2/h3-8,15-16H,9-11H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyBACZEWCNPAJJSA-HZPDHXFCSA-N
MW315.44 g/mol
LogP3.62
Rot. Bonds6

About trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 95159086) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID95159086
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Nametrans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCOCc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1
InChIInChI=1S/C18H21NO2S/c1-12-7-8-17(22-12)15-9-16(15)18(20)19-10-13-5-3-4-6-14(13)11-21-2/h3-8,15-16H,9-11H2,1-2H3,(H,19,20)/t15-,16-/m1/s1
InChIKeyBACZEWCNPAJJSA-HZPDHXFCSA-N
XLogP3.62
TPSA38.33 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 ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-N-[3-(1-phenylethoxy)propyl]thiophene-2-carboxamide
CID 42942737
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CID 46691859
N-[2-Methoxy-2-(5-methylthiophen-2-YL)ethyl]-2-(trifluoromethyl)benzamide
CID 71810358
N-[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]3-(o-fluorophenyl)propionamide
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5-(4-fluorophenyl)-4-(methoxymethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 57571425
(2S)-2-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-(thiophen-2-ylmethylamino)hexanamide
CID 59568765
2-[2-(4-fluorophenyl)-2-methoxyethyl]-N-hydroxy-6-(thiophen-2-ylmethylamino)hexanamide
CID 72328372
N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide
CID 134833007
2-methyl-N-[[2-[5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]phenyl]methyl]propanamide
CID 134833029
4-fluoro-3-(methoxymethyl)-N-[(2R)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457240
4-fluoro-3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzothiophene-2-carboxamide
CID 9457242
4-fluoro-3-(methoxymethyl)-N-[(2-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 9489024

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 95159086) is trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is COCc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C)s1.
What is the InChIKey of trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is BACZEWCNPAJJSA-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-7-8-17(22-12)15-9-16(15)18(20)19-10-13-5-3-4-6-14(13)11-21-2/h3-8,15-16H,9-11H2,1-2H3,(H,19,20)/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[[2-(methoxymethyl)phenyl]methyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95159086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).