N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide

C15H16ClNO2S — CID 86857903

IUPACN-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC)cc2Cl)sc1C
InChIInChI=1S/C15H16ClNO2S/c1-4-10-7-14(20-9(10)2)15(18)17-13-6-5-11(19-3)8-12(13)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeySQAHSBIVBPLEOL-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.53
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide

N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 86857903) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID86857903
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(OC)cc2Cl)sc1C
InChIInChI=1S/C15H16ClNO2S/c1-4-10-7-14(20-9(10)2)15(18)17-13-6-5-11(19-3)8-12(13)16/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeySQAHSBIVBPLEOL-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-methoxy-5-methylphenyl)-5-methylthiophene-2-carboxamide
CID 26414195
4-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 24564369
N-(2-chloro-4-methoxyphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 60597423
N-(2,4-dimethoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31494467
4-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 24551130
N-(2-chloro-4-hydroxyphenyl)-4-methoxybenzamide;N-(2-chloro-4-methoxyphenyl)-4-methoxybenzamide
CID 86605166
4-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-3-hydroxybenzoic acid
CID 60827236
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
N-(2,4-dichlorophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31509073
N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
N-(2-chloro-4-iodophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 47183189
4-ethyl-5-methyl-N-(2-propoxyphenyl)thiophene-2-carboxamide
CID 30235573

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide (CID 86857903) is N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide is CCc1cc(C(=O)Nc2ccc(OC)cc2Cl)sc1C.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is SQAHSBIVBPLEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-4-10-7-14(20-9(10)2)15(18)17-13-6-5-11(19-3)8-12(13)16/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide?
N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 86857903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).