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

C19H16FN3O2S — CID 46518220

IUPAC5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H16FN3O2S/c1-21-19(25)23-15-8-6-14(7-9-15)22-18(24)17-11-10-16(26-17)12-2-4-13(20)5-3-12/h2-11H,1H3,(H,22,24)(H2,21,23,25)
InChIKeyDVCYNHRPJQNORS-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.56
Rot. Bonds4

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

5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide (PubChem CID 46518220) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
PubChem CID46518220
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
SMILESCNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H16FN3O2S/c1-21-19(25)23-15-8-6-14(7-9-15)22-18(24)17-11-10-16(26-17)12-2-4-13(20)5-3-12/h2-11H,1H3,(H,22,24)(H2,21,23,25)
InChIKeyDVCYNHRPJQNORS-UHFFFAOYSA-N
XLogP4.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
N-[4-(cyclopropanecarbonylamino)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 18282772
5-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 52555639
methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781537
5-(4-fluorophenyl)-N-propan-2-ylthiophene-2-carboxamide
CID 35807263
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30378979
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
N,5-diphenylthiophene-2-carboxamide
CID 3746437
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
5-(4-fluorophenyl)-N'-(2-methylpropanoyl)thiophene-2-carbohydrazide
CID 24554163
5-(4-fluorophenyl)-N-[3-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119429577

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide (CID 46518220) is 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide is CNC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
The InChIKey is DVCYNHRPJQNORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c1-21-19(25)23-15-8-6-14(7-9-15)22-18(24)17-11-10-16(26-17)12-2-4-13(20)5-3-12/h2-11H,1H3,(H,22,24)(H2,21,23,25).
What are the key properties of 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 46518220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).