N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide

C14H14ClNOS — CID 27646619

IUPACN-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-10-7-9-18-13(10)14(17)16-8-6-11-2-4-12(15)5-3-11/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyARLAWAKNELLPSR-UHFFFAOYSA-N
MW279.79 g/mol
LogP3.68
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide

N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide (PubChem CID 27646619) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
PubChem CID27646619
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClNOS/c1-10-7-9-18-13(10)14(17)16-8-6-11-2-4-12(15)5-3-11/h2-5,7,9H,6,8H2,1H3,(H,16,17)
InChIKeyARLAWAKNELLPSR-UHFFFAOYSA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-3-methylthiophene-2-carboxamide
CID 27883847
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
N-[2-(4-chlorophenyl)ethyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110853491
N-(5-iodopentyl)-3-methylthiophene-2-carboxamide
CID 107322386
N-[2-(4-aminophenyl)ethyl]-3-ethylthiophene-2-carboxamide
CID 63237534
N-[2-(2-methoxyphenyl)ethyl]-3-methylthiophene-2-carboxamide
CID 31115178

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide (CID 27646619) is N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
The InChIKey is ARLAWAKNELLPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-10-7-9-18-13(10)14(17)16-8-6-11-2-4-12(15)5-3-11/h2-5,7,9H,6,8H2,1H3,(H,16,17).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide has a molecular weight of 279.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 27646619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).