N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C20H17FN2O2S — CID 30378979

IUPACN-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C20H17FN2O2S/c1-23(2)20(25)14-4-3-5-16(12-14)22-19(24)18-11-10-17(26-18)13-6-8-15(21)9-7-13/h3-12H,1-2H3,(H,22,24)
InChIKeyTYXDGNOJTDORBL-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.51
Rot. Bonds4

About N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 30378979) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID30378979
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC NameN-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1
InChIInChI=1S/C20H17FN2O2S/c1-23(2)20(25)14-4-3-5-16(12-14)22-19(24)18-11-10-17(26-18)13-6-8-15(21)9-7-13/h3-12H,1-2H3,(H,22,24)
InChIKeyTYXDGNOJTDORBL-UHFFFAOYSA-N
XLogP4.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(diethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 55368088
5-(4-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]thiophene-2-carboxamide
CID 55567080
N-[3-(dimethylcarbamoyl)phenyl]-5-nitrothiophene-2-carboxamide
CID 29331999
5-(4-fluorophenyl)-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 46518220
5-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79914678
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-5-fluorobenzamide
CID 55706623
5-(4-fluorophenyl)-N-[4-(methanesulfonamido)phenyl]thiophene-2-carboxamide
CID 34438299
N-[3-(dimethylcarbamoyl)phenyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 32626824
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 55612844
5-(4-fluorophenyl)-N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-carboxamide
CID 99811761
N-[3-(dimethylcarbamoyl)phenyl]-3-fluoro-4-methylbenzamide
CID 30379250

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 30378979) is N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is CN(C)C(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)c1.
What is the InChIKey of N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is TYXDGNOJTDORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c1-23(2)20(25)14-4-3-5-16(12-14)22-19(24)18-11-10-17(26-18)13-6-8-15(21)9-7-13/h3-12H,1-2H3,(H,22,24).
What are the key properties of N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylcarbamoyl)phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 30378979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).