2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide

C13H10ClFN4O3S — CID 143129052

IUPAC2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(NC(=O)c2cccc(Cl)c2F)cc1C(N)=O
InChIInChI=1S/C13H10ClFN4O3S/c14-7-3-1-2-5(9(7)15)11(21)18-8-4-6(10(16)20)12(23-8)19-13(17)22/h1-4H,(H2,16,20)(H,18,21)(H3,17,19,22)
InChIKeyLLCLLJJEBGXYKA-UHFFFAOYSA-N
MW356.77 g/mol
LogP2.38
Rot. Bonds4

About 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide

2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide (PubChem CID 143129052) has the molecular formula C13H10ClFN4O3S and a molecular weight of 356.77 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide
PubChem CID143129052
Molecular FormulaC13H10ClFN4O3S
Molecular Weight356.77 g/mol
Exact Mass356.01
IUPAC Name2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(NC(=O)c2cccc(Cl)c2F)cc1C(N)=O
InChIInChI=1S/C13H10ClFN4O3S/c14-7-3-1-2-5(9(7)15)11(21)18-8-4-6(10(16)20)12(23-8)19-13(17)22/h1-4H,(H2,16,20)(H,18,21)(H3,17,19,22)
InChIKeyLLCLLJJEBGXYKA-UHFFFAOYSA-N
XLogP2.38
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.77
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-5-[(2,6-difluorobenzoyl)amino]thiophene-3-carboxamide
CID 143129035
N-(4-carbamothioyl-2-chlorophenyl)-3-chloro-2-fluorobenzamide
CID 107808358
2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide
CID 143129174
N-(4-aminophenyl)-3-chloro-2-fluorobenzamide
CID 81267741
N-(2-amino-6-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81314667
N-(2-amino-4-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81265128
2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
CID 143129001
(3-chloro-2-fluorophenyl)urea
CID 28969166
2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 143129105
3-bromo-N-(3-carbamoyl-4-chlorophenyl)-2-fluorobenzamide
CID 106544218
3-chloro-N-[4-(chloromethyl)phenyl]-2-fluorobenzamide
CID 114299948
N-(4-bromo-3-fluorophenyl)-3-chloro-2-fluorobenzamide
CID 81002084

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide (CID 143129052) is 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide is NC(=O)Nc1sc(NC(=O)c2cccc(Cl)c2F)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is LLCLLJJEBGXYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O3S/c14-7-3-1-2-5(9(7)15)11(21)18-8-4-6(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-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 356.77 g/mol, XLogP of 2.38, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 143129052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).