N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide

C12H11ClN2OS — CID 80644262

IUPACN-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2Cl)ccc1N
InChIInChI=1S/C12H11ClN2OS/c1-7-6-8(2-3-10(7)14)15-12(16)11-9(13)4-5-17-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyBJYZGVUZRWIYKJ-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.54
Rot. Bonds2

About N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide

N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide (PubChem CID 80644262) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
PubChem CID80644262
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2Cl)ccc1N
InChIInChI=1S/C12H11ClN2OS/c1-7-6-8(2-3-10(7)14)15-12(16)11-9(13)4-5-17-11/h2-6H,14H2,1H3,(H,15,16)
InChIKeyBJYZGVUZRWIYKJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.54
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-(3-amino-4-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644063
N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645311
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089
N-(3-amino-6-fluoro-2-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 114244691
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-(3-amino-4-methylphenyl)-3-ethylthiophene-2-carboxamide
CID 79985935
N-(4-amino-3-methylphenyl)-4-methylthiophene-3-carboxamide
CID 79802134
3-chloro-N-(4-hydroxy-2-methylphenyl)thiophene-2-carboxamide
CID 80641212
3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide (CID 80644262) is N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2Cl)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide?
The InChIKey is BJYZGVUZRWIYKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-6-8(2-3-10(7)14)15-12(16)11-9(13)4-5-17-11/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide?
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide has a molecular weight of 266.75 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide is sourced from PubChem (CID 80644262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).