N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide

C13H13ClN2OS — CID 54594630

IUPACN-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(N)cc2Cl)s1
InChIInChI=1S/C13H13ClN2OS/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyPKAIHNKHBKOUFS-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.80
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide

N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide (PubChem CID 54594630) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
PubChem CID54594630
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2ccc(N)cc2Cl)s1
InChIInChI=1S/C13H13ClN2OS/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17)
InChIKeyPKAIHNKHBKOUFS-UHFFFAOYSA-N
XLogP3.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-hydroxyphenyl)-5-ethylthiophene-2-carboxamide
CID 64786376
4-chloro-3-[(5-ethylthiophene-2-carbonyl)amino]benzoic acid
CID 43358861
N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
N-(4-amino-2-chlorophenyl)-5-ethylfuran-2-carboxamide
CID 79095779
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
N-(2-bromo-4-carbamothioylphenyl)-5-ethylthiophene-2-carboxamide
CID 107789968
N-(4-amino-2-chlorophenyl)-5-methylfuran-3-carboxamide
CID 114818567
N-(2-bromophenyl)-5-ethylthiophene-2-carboxamide
CID 17172870
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-ethylthiophene-2-carboxamide
CID 4219949
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
5-ethyl-N-[2-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 54960567
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide (CID 54594630) is N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)Nc2ccc(N)cc2Cl)s1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is PKAIHNKHBKOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-2-9-4-6-12(18-9)13(17)16-11-5-3-8(15)7-10(11)14/h3-7H,2,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide?
N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 280.78 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 54594630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).