methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate

C15H14N2O4S — CID 7167229

IUPACmethyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H14N2O4S/c1-16-13(19)11-7-8-22-14(11)17-12(18)9-3-5-10(6-4-9)15(20)21-2/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKeyPMOXLAPHHNIFKI-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.15
Rot. Bonds4

About methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate

methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate (PubChem CID 7167229) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
PubChem CID7167229
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Namemethyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
SMILESCNC(=O)c1ccsc1NC(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H14N2O4S/c1-16-13(19)11-7-8-22-14(11)17-12(18)9-3-5-10(6-4-9)15(20)21-2/h3-8H,1-2H3,(H,16,19)(H,17,18)
InChIKeyPMOXLAPHHNIFKI-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
2-[[4-(dimethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 3686157
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
2-[[4-(diethylamino)benzoyl]amino]-N-methylthiophene-3-carboxamide
CID 7141428
methyl 4-[(3-cyanothiophen-2-yl)carbamoyl]benzoate
CID 2137661
methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4293499
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methyl 4-[[2-(methylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178306
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
CID 7166904
2-[(2,4-dimethoxybenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 5228480
N-methyl-2-[[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxamide
CID 7167237
methyl 4-(2-aminothiophene-3-carbonyl)benzoate
CID 59783735

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate (CID 7167229) is methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate is CNC(=O)c1ccsc1NC(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate?
The InChIKey is PMOXLAPHHNIFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-16-13(19)11-7-8-22-14(11)17-12(18)9-3-5-10(6-4-9)15(20)21-2/h3-8H,1-2H3,(H,16,19)(H,17,18).
What are the key properties of methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate?
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate has a molecular weight of 318.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate is sourced from PubChem (CID 7167229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).