2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide

C13H10F2N4O3S — CID 143129035

IUPAC2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(NC(=O)c2c(F)cccc2F)cc1C(N)=O
InChIInChI=1S/C13H10F2N4O3S/c14-6-2-1-3-7(15)9(6)11(21)18-8-4-5(10(16)20)12(23-8)19-13(17)22/h1-4H,(H2,16,20)(H,18,21)(H3,17,19,22)
InChIKeyKKLWQBLYMHILMG-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.87
Rot. Bonds4

About 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide

2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 143129035) has the molecular formula C13H10F2N4O3S and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide
PubChem CID143129035
Molecular FormulaC13H10F2N4O3S
Molecular Weight340.31 g/mol
Exact Mass340.04
IUPAC Name2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(NC(=O)c2c(F)cccc2F)cc1C(N)=O
InChIInChI=1S/C13H10F2N4O3S/c14-6-2-1-3-7(15)9(6)11(21)18-8-4-5(10(16)20)12(23-8)19-13(17)22/h1-4H,(H2,16,20)(H,18,21)(H3,17,19,22)
InChIKeyKKLWQBLYMHILMG-UHFFFAOYSA-N
XLogP1.87
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide
CID 143129174
2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide
CID 143129052
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 78779030
2-(carbamoylamino)-5-naphthalen-1-ylthiophene-3-carboxamide
CID 67119830
[(2,6-difluorobenzoyl)amino]thiourea
CID 65217088
ethyl 2-[(2,6-difluorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 78771957
2-(carbamoylamino)-5-(2-methylsulfanylphenyl)thiophene-3-carboxamide
CID 56959661
ethyl 2-[(2,6-difluorobenzoyl)amino]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate
CID 46094909
CID 161042703
CID 161042703
N-(2,4-difluorophenyl)-2,6-difluorobenzamide
CID 2796874
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide (CID 143129035) is 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide is NC(=O)Nc1sc(NC(=O)c2c(F)cccc2F)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is KKLWQBLYMHILMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4O3S/c14-6-2-1-3-7(15)9(6)11(21)18-8-4-5(10(16)20)12(23-8)19-13(17)22/h1-4H,(H2,16,20)(H,18,21)(H3,17,19,22).
What are the key properties of 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 143129035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).