5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

C14H14ClNO2S — CID 47222257

IUPAC5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H14ClNO2S/c1-18-11-4-2-3-10(9-11)7-8-16-14(17)12-5-6-13(15)19-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyORXNKGIEMAGCQW-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.38
Rot. Bonds5

About 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 47222257) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID47222257
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C14H14ClNO2S/c1-18-11-4-2-3-10(9-11)7-8-16-14(17)12-5-6-13(15)19-12/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyORXNKGIEMAGCQW-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
5-[(E)-3-(dimethylamino)prop-2-enoyl]-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 59777072
5-chloro-N-[2-(3-methoxyphenyl)ethyl]-4-nitrothiophene-2-carboxamide
CID 112529619
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5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
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3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 47222257) is 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1cccc(CCNC(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is ORXNKGIEMAGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-18-11-4-2-3-10(9-11)7-8-16-14(17)12-5-6-13(15)19-12/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 295.79 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47222257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).