4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide

C14H15ClN2OS — CID 61117048

IUPAC4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C14H15ClN2OS/c1-9-12(16)8-13(19-9)14(18)17-7-6-10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyNUFBVIASUIGBGT-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.26
Rot. Bonds4

About 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide

4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 61117048) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID61117048
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)NCCc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C14H15ClN2OS/c1-9-12(16)8-13(19-9)14(18)17-7-6-10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3,(H,17,18)
InChIKeyNUFBVIASUIGBGT-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(3-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61113254
N-[2-(4-chlorophenyl)ethyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 46671339
4-amino-N-[2-(2-fluorophenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 61093123
4-amino-N-[2-(furan-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 61140224
4-amino-N-[(4-ethylphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 106899155
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
2-amino-N-[2-(4-chlorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116242
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]-2,3,5,6-tetramethylbenzene-1,4-dicarboxamide
CID 17139039
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-hydroxybenzamide
CID 107074342

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide (CID 61117048) is 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)NCCc2ccc(Cl)cc2)cc1N.
What is the InChIKey of 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is NUFBVIASUIGBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9-12(16)8-13(19-9)14(18)17-7-6-10-2-4-11(15)5-3-10/h2-5,8H,6-7,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide?
4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chlorophenyl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 61117048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).