methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate

C14H13NO4S — CID 844198

IUPACmethyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H13NO4S/c1-18-10-5-3-9(4-6-10)13(16)15-11-7-8-20-12(11)14(17)19-2/h3-8H,1-2H3,(H,15,16)
InChIKeyIQHFVFGUPWQQCP-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.80
Rot. Bonds4

About methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate

methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate (PubChem CID 844198) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate
PubChem CID844198
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Namemethyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H13NO4S/c1-18-10-5-3-9(4-6-10)13(16)15-11-7-8-20-12(11)14(17)19-2/h3-8H,1-2H3,(H,15,16)
InChIKeyIQHFVFGUPWQQCP-UHFFFAOYSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-Phenoxybenzoyl)amino]-2-thiophenecarboxylic acid
CID 3439320
Methyl 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
Methyl 3-(2-phenylacetamido)thiophene-2-carboxylate
CID 4079571
5-Ethyl-2-{[3-(4-methoxyphenyl)acryloyl]amino}-3-thiophenecarboxylic acid
CID 776614
Methyl 3-{[(3-methylphenoxy)acetyl]amino}-2-thiophenecarboxylate
CID 1266472
Methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate
CID 24818492
Methyl 3-[(2-ethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 771052
Ethyl 3-acetamido-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 793387
Methyl 3-[(3,5-dimethoxybenzoyl)amino]-2-thiophenecarboxylate
CID 5162900
Methyl 3-(benzoylamino)-2-thiophenecarboxylate
CID 738341
Methyl 3-(2-(4-methoxyphenyl)acetamido)thiophene-2-carboxylate
CID 897877
3-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 9943895

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate (CID 844198) is methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate?
The InChIKey is IQHFVFGUPWQQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c1-18-10-5-3-9(4-6-10)13(16)15-11-7-8-20-12(11)14(17)19-2/h3-8H,1-2H3,(H,15,16).
What are the key properties of methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate?
methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate has a molecular weight of 291.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxybenzoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 844198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).