5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide

C17H20FN3O2S — CID 10291483

IUPAC5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)13-9-12(14(24-13)15(22)19-4)21-16(23)20-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyFUSKIBWHJAWEFI-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.19
Rot. Bonds3

About 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide

5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide (PubChem CID 10291483) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide
PubChem CID10291483
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H20FN3O2S/c1-17(2,3)13-9-12(14(24-13)15(22)19-4)21-16(23)20-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H,19,22)(H2,20,21,23)
InChIKeyFUSKIBWHJAWEFI-UHFFFAOYSA-N
XLogP4.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11152667
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5-tert-Butyl-3-[3-(4-ethyl-phenyl)-ureido]-thiophene-2-carboxylic acid methylamide
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5-tert-Butyl-3-[3-(4-isopropyl-phenyl)-ureido]-thiophene-2-carboxylic acid methylamide
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CID 16041610
6-(2,4-diketo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-(4-fluorobenzyl)hexanamide
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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide (CID 10291483) is 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide?
The InChIKey is FUSKIBWHJAWEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-17(2,3)13-9-12(14(24-13)15(22)19-4)21-16(23)20-11-7-5-10(18)6-8-11/h5-9H,1-4H3,(H,19,22)(H2,20,21,23).
What are the key properties of 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide?
5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[(4-fluorophenyl)carbamoylamino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 10291483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).