methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate

C14H13NO4S — CID 114915804

IUPACmethyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1cccc(O)c1
InChIInChI=1S/C14H13NO4S/c1-8-7-20-12(14(18)19-2)11(8)15-13(17)9-4-3-5-10(16)6-9/h3-7,16H,1-2H3,(H,15,17)
InChIKeyDJPCLTKVDUTLDM-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.80
Rot. Bonds3

About methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate

methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate (PubChem CID 114915804) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
PubChem CID114915804
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Namemethyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1cccc(O)c1
InChIInChI=1S/C14H13NO4S/c1-8-7-20-12(14(18)19-2)11(8)15-13(17)9-4-3-5-10(16)6-9/h3-7,16H,1-2H3,(H,15,17)
InChIKeyDJPCLTKVDUTLDM-UHFFFAOYSA-N
XLogP2.80
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
methyl 3-[(3-amino-4-fluorobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914534
methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416
methyl 3-[(3-chloro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916201
methyl 4-methyl-3-[(6-oxopyran-3-carbonyl)amino]thiophene-2-carboxylate
CID 114916262
3-[(3-chlorobenzoyl)amino]-4-methylthiophene-2-carboxylic acid
CID 114914551
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915398
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915817
methyl 3-[(3-amino-5-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114914531
methyl 3-[(2-bromo-4-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915762
methyl 3-[(4-bromo-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916359
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate (CID 114915804) is methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)c1cccc(O)c1.
What is the InChIKey of methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate?
The InChIKey is DJPCLTKVDUTLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-8-7-20-12(14(18)19-2)11(8)15-13(17)9-4-3-5-10(16)6-9/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate?
methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 114915804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).