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

C19H14FN3O3S — CID 166217861

IUPACN-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(F)c1
InChIInChI=1S/C19H14FN3O3S/c20-14-10-11(17(21)24)6-7-15(14)23-18(25)12-3-1-4-13(9-12)22-19(26)16-5-2-8-27-16/h1-10H,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyCKQCZTRPHGKATR-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.49
Rot. Bonds5

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

N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 166217861) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID166217861
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC NameN-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(F)c1
InChIInChI=1S/C19H14FN3O3S/c20-14-10-11(17(21)24)6-7-15(14)23-18(25)12-3-1-4-13(9-12)22-19(26)16-5-2-8-27-16/h1-10H,(H2,21,24)(H,22,26)(H,23,25)
InChIKeyCKQCZTRPHGKATR-UHFFFAOYSA-N
XLogP3.49
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-carbamothioylphenyl)thiophene-2-carboxamide
CID 24696686
N-[3-[[2-(trifluoromethoxy)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55447323
N-[3-(quinolin-8-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27990641
N-[3-(naphthalene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 1334806
ethyl 3-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]benzoate
CID 34201771
N-(2,4,5-trifluorophenyl)thiophene-2-carboxamide
CID 63372873
(2-fluorophenyl)methyl 3-(thiophene-2-carbonylamino)benzoate
CID 7888664
N-(2-fluoro-4-sulfamoylphenyl)thiophene-2-carboxamide
CID 61129962
N-[3-[[3-(thiophene-2-carbonylamino)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55831993
N-[3-[(2-methyl-4-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46563897
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
N-[3-[(1-amino-2-methylpropan-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119524473

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 166217861) is N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is NC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c(F)c1.
What is the InChIKey of N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is CKQCZTRPHGKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c20-14-10-11(17(21)24)6-7-15(14)23-18(25)12-3-1-4-13(9-12)22-19(26)16-5-2-8-27-16/h1-10H,(H2,21,24)(H,22,26)(H,23,25).
What are the key properties of N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-carbamoyl-2-fluorophenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 166217861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).