2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid

C15H16N2O3S — CID 62057527

IUPAC2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
SMILESCc1ccc(CNC(=O)N(C)c2ccccc2C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-10-7-8-11(21-10)9-16-15(20)17(2)13-6-4-3-5-12(13)14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySFLLCRCFNAZISC-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.10
Rot. Bonds4

About 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid

2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid (PubChem CID 62057527) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
PubChem CID62057527
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid
SMILESCc1ccc(CNC(=O)N(C)c2ccccc2C(=O)O)s1
InChIInChI=1S/C15H16N2O3S/c1-10-7-8-11(21-10)9-16-15(20)17(2)13-6-4-3-5-12(13)14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeySFLLCRCFNAZISC-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[ethyl(methyl)amino]ethylcarbamoyl-methylamino]benzoic acid
CID 62636872
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
5-[[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110839
2-[(5-methylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62056404
(2R)-2-amino-N-[(5-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 62058382
2-[methyl(3-propoxypropylcarbamoyl)amino]benzoic acid
CID 82940320
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-3-[(5-methylthiophen-2-yl)methyl]urea
CID 51118050
2-[methyl(thiophen-3-ylcarbamoyl)amino]benzoic acid
CID 66355662
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
3-methyl-N-[(5-methylthiophen-2-yl)methyl]but-2-enamide
CID 51082921
2-[methyl-(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334775
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 87003686

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid?
The IUPAC name of 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid (CID 62057527) is 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid is Cc1ccc(CNC(=O)N(C)c2ccccc2C(=O)O)s1.
What is the InChIKey of 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid?
The InChIKey is SFLLCRCFNAZISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-7-8-11(21-10)9-16-15(20)17(2)13-6-4-3-5-12(13)14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid?
2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylthiophen-2-yl)methylcarbamoyl]amino]benzoic acid is sourced from PubChem (CID 62057527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).