N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C21H17FN2O2S — CID 18282772

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H17FN2O2S/c22-15-5-3-13(4-6-15)18-11-12-19(27-18)21(26)24-17-9-7-16(8-10-17)23-20(25)14-1-2-14/h3-12,14H,1-2H2,(H,23,25)(H,24,26)
InChIKeyNBXSXUWGULFVGB-UHFFFAOYSA-N
MW380.44 g/mol
LogP5.16
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 18282772) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID18282772
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H17FN2O2S/c22-15-5-3-13(4-6-15)18-11-12-19(27-18)21(26)24-17-9-7-16(8-10-17)23-20(25)14-1-2-14/h3-12,14H,1-2H2,(H,23,25)(H,24,26)
InChIKeyNBXSXUWGULFVGB-UHFFFAOYSA-N
XLogP5.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.44
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
methyl 5-[[4-(cyclopropanecarbonylamino)phenyl]carbamoyl]thiophene-2-carboxylate
CID 38753329
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781537
N,5-diphenylthiophene-2-carboxamide
CID 3746437
tert-butyl 4-[[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]carbamoyl]piperidine-1-carboxylate
CID 46657166
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150694
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 18282772) is N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is NBXSXUWGULFVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-15-5-3-13(4-6-15)18-11-12-19(27-18)21(26)24-17-9-7-16(8-10-17)23-20(25)14-1-2-14/h3-12,14H,1-2H2,(H,23,25)(H,24,26).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 18282772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).