N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide

C12H11ClN2OS — CID 43548778

IUPACN-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-7-4-5-17-11(7)12(16)15-10-6-8(14)2-3-9(10)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyBKRRPXMFLFLLRD-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.54
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide

N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 43548778) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID43548778
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC NameN-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(N)ccc1Cl
InChIInChI=1S/C12H11ClN2OS/c1-7-4-5-17-11(7)12(16)15-10-6-8(14)2-3-9(10)13/h2-6H,14H2,1H3,(H,15,16)
InChIKeyBKRRPXMFLFLLRD-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-(4-amino-2-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24696696
N-(5-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985119
N-(5-bromo-2-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 55133221
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(2-bromo-5-chloro-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104723964
N-(5-amino-2-chlorophenyl)-2-methylbenzamide
CID 28866784
N-(4-amino-2-chlorophenyl)-3-ethylthiophene-2-carboxamide
CID 79985766
(5-amino-2-chlorophenyl)carbamic acid
CID 57203171
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
methyl 4-[(2,5-dichlorophenyl)carbamoyl]-2-[(3-methylthiophene-2-carbonyl)amino]benzoate
CID 4850828
3-methyl-N-(2-methylphenyl)thiophene-2-carboxamide
CID 8714089
N-(5-amino-2-chlorophenyl)-3-methylpyridine-2-carboxamide
CID 55059942

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide (CID 43548778) is N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(N)ccc1Cl.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is BKRRPXMFLFLLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-7-4-5-17-11(7)12(16)15-10-6-8(14)2-3-9(10)13/h2-6H,14H2,1H3,(H,15,16).
What are the key properties of N-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide?
N-(5-amino-2-chlorophenyl)-3-methylthiophene-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-(5-amino-2-chlorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 43548778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).