N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide

C15H17ClN2OS — CID 103399805

IUPACN-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1scc(C)c1Cl
InChIInChI=1S/C15H17ClN2OS/c1-3-18(8-11-5-4-6-12(17)7-11)15(19)14-13(16)10(2)9-20-14/h4-7,9H,3,8,17H2,1-2H3
InChIKeyIASSZQJINDEVSO-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.95
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide

N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 103399805) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
PubChem CID103399805
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1scc(C)c1Cl
InChIInChI=1S/C15H17ClN2OS/c1-3-18(8-11-5-4-6-12(17)7-11)15(19)14-13(16)10(2)9-20-14/h4-7,9H,3,8,17H2,1-2H3
InChIKeyIASSZQJINDEVSO-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
N-[(3-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458950
N-[(3-aminophenyl)methyl]-2-chloro-N-ethyl-5-hydroxybenzamide
CID 106500076
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylpyridine-2-carboxamide
CID 62340614
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-5-bromo-N-ethylthiophene-2-carboxamide
CID 43458976
3-chloro-N-(3-chloropropyl)-N-ethyl-4-methylthiophene-2-carboxamide
CID 103406170
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide (CID 103399805) is N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide is CCN(Cc1cccc(N)c1)C(=O)c1scc(C)c1Cl.
What is the InChIKey of N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is IASSZQJINDEVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-3-18(8-11-5-4-6-12(17)7-11)15(19)14-13(16)10(2)9-20-14/h4-7,9H,3,8,17H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide?
N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-3-chloro-N-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 103399805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).