methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

C17H12N2O6S — CID 7167067

IUPACmethyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C17H12N2O6S/c1-24-17(23)19-14(21)10-6-7-26-16(10)18-15(22)11-8-25-12-5-3-2-4-9(12)13(11)20/h2-8H,1H3,(H,18,22)(H,19,21,23)
InChIKeyONXZIWJOOLWMAC-UHFFFAOYSA-N
MW372.36 g/mol
LogP2.60
Rot. Bonds3

About methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate

methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7167067) has the molecular formula C17H12N2O6S and a molecular weight of 372.36 g/mol. Its IUPAC name is methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7167067
Molecular FormulaC17H12N2O6S
Molecular Weight372.36 g/mol
Exact Mass372.04
IUPAC Namemethyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
SMILESCOC(=O)NC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C17H12N2O6S/c1-24-17(23)19-14(21)10-6-7-26-16(10)18-15(22)11-8-25-12-5-3-2-4-9(12)13(11)20/h2-8H,1H3,(H,18,22)(H,19,21,23)
InChIKeyONXZIWJOOLWMAC-UHFFFAOYSA-N
XLogP2.60
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
methyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192458
4-oxo-N-(4-sulfanylphenyl)chromene-3-carboxamide
CID 155566561
N-(2,3-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 155549718
N-(3,4-dimethylphenyl)-4-oxochromene-3-carboxamide
CID 132941421
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4216025
methyl N-[2-[(2,4-dimethoxybenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7167041
methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 16953741
methyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167092
ethyl 4-[(4-oxochromene-3-carbonyl)amino]benzoate
CID 2332762
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 7172929
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate (CID 7167067) is methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is COC(=O)NC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O.
What is the InChIKey of methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is ONXZIWJOOLWMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O6S/c1-24-17(23)19-14(21)10-6-7-26-16(10)18-15(22)11-8-25-12-5-3-2-4-9(12)13(11)20/h2-8H,1H3,(H,18,22)(H,19,21,23).
What are the key properties of methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate?
methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 372.36 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).