methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate

C17H19FN2O3S — CID 10269328

IUPACmethyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
InChIKeyHPSDDURLAUPPKD-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.62
Rot. Bonds3

About methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate

methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 10269328) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID10269328
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Namemethyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22)
InChIKeyHPSDDURLAUPPKD-UHFFFAOYSA-N
XLogP4.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate 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 3-[(2-fluorobenzoyl)amino]-2-thiophenecarboxylate
CID 579516
5-tert-Butyl-3-[3-(4-chloro-phenyl)-ureido]-thiophene-2-carboxylic acid methyl ester
CID 2807754
Methyl 5-tert-butyl-3-(3-phenylureido)thiophene-2-carboxylate
CID 4163701
Methyl 3-acetamido-5-phenylthiophene-2-carboxylate
CID 4114774
3-[[(3-Acetylanilino)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester
CID 970042
Methyl 3-{[(4-fluoroanilino)carbonyl]amino}-2-thiophenecarboxylate
CID 11837143
Methyl 3-{[(3,4-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818731
Methyl 3-{[(2,3-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818733
Methyl 3-{[(4-methylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818738
Methyl 3-{[(3,5-dimethylphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24819112
Methyl 3-[(anilinocarbonothioyl)amino]thiophene-2-carboxylate
CID 6621269
5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carboxylic acid methyl ester
CID 9950128

Frequently Asked Questions

What is the IUPAC name of methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate (CID 10269328) is methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is HPSDDURLAUPPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H2,19,20,22).
What are the key properties of methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 10269328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).