3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid

C15H15NO6S — CID 16774257

IUPAC3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)Nc2ccsc2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C15H15NO6S/c1-20-10-6-8(7-11(21-2)12(10)22-3)14(17)16-9-4-5-23-13(9)15(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyXGCMLOSSRKEIMN-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.72
Rot. Bonds6

About 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid

3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid (PubChem CID 16774257) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
PubChem CID16774257
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid
SMILESCOc1cc(C(=O)Nc2ccsc2C(=O)O)cc(OC)c1OC
InChIInChI=1S/C15H15NO6S/c1-20-10-6-8(7-11(21-2)12(10)22-3)14(17)16-9-4-5-23-13(9)15(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19)
InChIKeyXGCMLOSSRKEIMN-UHFFFAOYSA-N
XLogP2.72
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3,4-dimethoxy-5-prop-2-enylbenzoyl)amino]thiophene-2-carboxylate
CID 43034629
3-[(3,4-diethoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16776584
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-[(6-methylpyridine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 16782205
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
2-iodo-5-[(3,4,5-trimethoxybenzoyl)amino]benzoic acid
CID 2974192
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
3-[(3-hydroxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16773315
3-[(4-methylsulfanylbenzoyl)amino]thiophene-2-carboxylic acid
CID 43358110
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid (CID 16774257) is 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid is COc1cc(C(=O)Nc2ccsc2C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid?
The InChIKey is XGCMLOSSRKEIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-20-10-6-8(7-11(21-2)12(10)22-3)14(17)16-9-4-5-23-13(9)15(18)19/h4-7H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid?
3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid has a molecular weight of 337.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4,5-trimethoxybenzoyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 16774257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).