ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate

C15H13FN2O4S — CID 7167124

IUPACethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4S/c1-2-22-15(21)18-13(20)11-7-8-23-14(11)17-12(19)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyGCJDTWISSFEOBQ-UHFFFAOYSA-N
MW336.34 g/mol
LogP3.03
Rot. Bonds4

About ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate

ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate (PubChem CID 7167124) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
PubChem CID7167124
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Nameethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate
SMILESCCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H13FN2O4S/c1-2-22-15(21)18-13(20)11-7-8-23-14(11)17-12(19)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,19)(H,18,20,21)
InChIKeyGCJDTWISSFEOBQ-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-[(4-fluorobenzoyl)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

ethyl N-[2-[(4-propan-2-ylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 41148716
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
ethyl N-[2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carbonyl]carbamate
CID 7546528
2-[(4-fluorobenzoyl)amino]-N-methylthiophene-3-carboxamide
CID 3356370
ethyl N-[2-[(2-sulfanyl-2,3-dihydro-1H-benzimidazole-5-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121467000
ethyl N-[2-(2,1,3-benzoxadiazole-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464988
ethyl N-[2-[(2,4-dimethylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7192459
ethyl N-[2-[(3-methylsulfonylbenzoyl)amino]thiophene-3-carbonyl]carbamate
CID 7565713
ethyl N-[2-[(2,2-diphenylacetyl)amino]thiophene-3-carbonyl]carbamate
CID 7167159
ethyl N-[2-[(5-bromothiophene-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167142
ethyl N-[2-(3-phenylpropanoylamino)thiophene-3-carbonyl]carbamate
CID 7167179
ethyl N-[2-[(5-methyl-1,2,4-oxadiazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 86581978

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate?
The IUPAC name of ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate (CID 7167124) is ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate?
The canonical SMILES for ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate is CCOC(=O)NC(=O)c1ccsc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate?
The InChIKey is GCJDTWISSFEOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-2-22-15(21)18-13(20)11-7-8-23-14(11)17-12(19)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,19)(H,18,20,21).
What are the key properties of ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate?
ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate has a molecular weight of 336.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(4-fluorobenzoyl)amino]thiophene-3-carbonyl]carbamate is sourced from PubChem (CID 7167124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).