N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide

C14H14N2O2S — CID 78779650

IUPACN-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(N)=O)c2)sc1C
InChIInChI=1S/C14H14N2O2S/c1-8-6-12(19-9(8)2)14(18)16-11-5-3-4-10(7-11)13(15)17/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyOZFZXVNTPKBULD-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.72
Rot. Bonds3

About N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide

N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide (PubChem CID 78779650) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
PubChem CID78779650
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(C(N)=O)c2)sc1C
InChIInChI=1S/C14H14N2O2S/c1-8-6-12(19-9(8)2)14(18)16-11-5-3-4-10(7-11)13(15)17/h3-7H,1-2H3,(H2,15,17)(H,16,18)
InChIKeyOZFZXVNTPKBULD-UHFFFAOYSA-N
XLogP2.72
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-carbamoylphenyl)-5-methylthiophene-2-carboxamide
CID 61118215
N-(3-aminophenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057768
2-[[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 71936304
N-(3-methoxyphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 31505872
4,5-dimethyl-N-[3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 86917121
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
4,5-dimethyl-N-[3-(methylaminomethyl)phenyl]thiophene-2-carboxamide
CID 65239175
N-(3-carbamoylphenyl)-5-ethylthiophene-2-carboxamide
CID 47114852
N-[3-(dimethylsulfamoyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 31506049
1-[3-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoyl]piperidine-2-carboxylic acid
CID 119243500
ethyl 3-[(4-amino-5-methylthiophene-2-carbonyl)amino]benzoate
CID 61117526
N-(3-amino-4-ethylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 62057931

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide (CID 78779650) is N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2cccc(C(N)=O)c2)sc1C.
What is the InChIKey of N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is OZFZXVNTPKBULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-8-6-12(19-9(8)2)14(18)16-11-5-3-4-10(7-11)13(15)17/h3-7H,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide?
N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 78779650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).