3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide

C14H15ClN2OS — CID 61139721

IUPAC3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1sccc1N
InChIInChI=1S/C14H15ClN2OS/c1-9(10-4-3-5-11(15)8-10)17(2)14(18)13-12(16)6-7-19-13/h3-9H,16H2,1-2H3
InChIKeyHIKIKTMTNHBQKD-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.82
Rot. Bonds3

About 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide

3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 61139721) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID61139721
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)c1sccc1N
InChIInChI=1S/C14H15ClN2OS/c1-9(10-4-3-5-11(15)8-10)17(2)14(18)13-12(16)6-7-19-13/h3-9H,16H2,1-2H3
InChIKeyHIKIKTMTNHBQKD-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
3-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 61107639
3-amino-N-[1-(3-chlorophenyl)ethyl]-4-fluoro-N-methylbenzamide
CID 61139880
3-amino-N-methyl-N-(1-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61110711
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62978574
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
6-amino-5-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 62728769
2-(2-aminoethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621554
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide (CID 61139721) is 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is HIKIKTMTNHBQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-9(10-4-3-5-11(15)8-10)17(2)14(18)13-12(16)6-7-19-13/h3-9H,16H2,1-2H3.
What are the key properties of 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide?
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 294.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61139721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).