4-methyl-3-(thiophene-2-carbonylamino)benzoate

C13H10NO3S- — CID 5122270

IUPAC4-methyl-3-(thiophene-2-carbonylamino)benzoate
SMILESCc1ccc(C(=O)[O-])cc1NC(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyDRUFFVMRPBNBPZ-UHFFFAOYSA-M
MW260.29 g/mol
LogP1.67
Rot. Bonds3

About 4-methyl-3-(thiophene-2-carbonylamino)benzoate

4-methyl-3-(thiophene-2-carbonylamino)benzoate (PubChem CID 5122270) has the molecular formula C13H10NO3S- and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-methyl-3-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name4-methyl-3-(thiophene-2-carbonylamino)benzoate
PubChem CID5122270
Molecular FormulaC13H10NO3S-
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name4-methyl-3-(thiophene-2-carbonylamino)benzoate
SMILESCc1ccc(C(=O)[O-])cc1NC(=O)c1cccs1
InChIInChI=1S/C13H11NO3S/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)/p-1
InChIKeyDRUFFVMRPBNBPZ-UHFFFAOYSA-M
XLogP1.67
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(thiophene-2-carbonylamino)benzoate
CID 6978677
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-(2,5-dimethylphenyl)thiophene-2-carboxamide;ethane
CID 143815290
N-(5-chloro-2-methylphenyl)thiophene-2-carboxamide
CID 795521
N-[2-chloro-5-[(2,5-dimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 26500049
3-[[3-[(5-carboxylato-2-methylphenyl)carbamoyl]benzoyl]amino]-4-methylbenzoate
CID 6982314
N-[(2,5-dimethylphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866335
4-chloro-3-(thiophene-2-carbonylcarbamothioylamino)benzoate
CID 6953019
2-[[2-methyl-5-(thiophene-2-carbonylamino)phenyl]carbamoyl]benzoic acid
CID 1432969
N-[2-chloro-5-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 78776503
4-methyl-3-(propanoylamino)benzoate
CID 4745923
N-(3-hydroxy-4-methylphenyl)thiophene-2-carboxamide
CID 64794383

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of 4-methyl-3-(thiophene-2-carbonylamino)benzoate (CID 5122270) is 4-methyl-3-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for 4-methyl-3-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for 4-methyl-3-(thiophene-2-carbonylamino)benzoate is Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccs1.
What is the InChIKey of 4-methyl-3-(thiophene-2-carbonylamino)benzoate?
The InChIKey is DRUFFVMRPBNBPZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO3S/c1-8-4-5-9(13(16)17)7-10(8)14-12(15)11-3-2-6-18-11/h2-7H,1H3,(H,14,15)(H,16,17)/p-1.
What are the key properties of 4-methyl-3-(thiophene-2-carbonylamino)benzoate?
4-methyl-3-(thiophene-2-carbonylamino)benzoate has a molecular weight of 260.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 5122270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).