N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide

C15H16ClNOS — CID 42906351

IUPACN-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C15H16ClNOS/c1-9-8-14(19-11(9)3)15(18)17-10(2)12-4-6-13(16)7-5-12/h4-8,10H,1-3H3,(H,17,18)
InChIKeyKVLFCTPPNVWSHM-UHFFFAOYSA-N
MW293.82 g/mol
LogP4.51
Rot. Bonds3

About N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide

N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 42906351) has the molecular formula C15H16ClNOS and a molecular weight of 293.82 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID42906351
Molecular FormulaC15H16ClNOS
Molecular Weight293.82 g/mol
Exact Mass293.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)cc2)sc1C
InChIInChI=1S/C15H16ClNOS/c1-9-8-14(19-11(9)3)15(18)17-10(2)12-4-6-13(16)7-5-12/h4-8,10H,1-3H3,(H,17,18)
InChIKeyKVLFCTPPNVWSHM-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 31495830
5-bromo-4-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]thiophene-2-carboxamide
CID 79988999
4,5-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 113339601
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490
4,5-dimethyl-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]thiophene-2-carboxamide
CID 51922993
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
(2S)-2-[(4,5-dimethylthiophene-2-carbonyl)amino]propanoic acid
CID 61132299
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 81354288
4-amino-N-[1-(4-ethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140208
N-[(1R)-1-(4-chlorophenyl)ethyl]-2,3-dimethylbenzamide
CID 8751575
2-amino-4-chloro-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 81355744

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide (CID 42906351) is N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(Cl)cc2)sc1C.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is KVLFCTPPNVWSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNOS/c1-9-8-14(19-11(9)3)15(18)17-10(2)12-4-6-13(16)7-5-12/h4-8,10H,1-3H3,(H,17,18).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 293.82 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 42906351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).