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

C14H12F2N4O3S — CID 143129174

IUPAC2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1F
InChIInChI=1S/C14H12F2N4O3S/c1-5-2-3-7(15)9(10(5)16)12(22)19-8-4-6(11(17)21)13(24-8)20-14(18)23/h2-4H,1H3,(H2,17,21)(H,19,22)(H3,18,20,23)
InChIKeySSDPZKPVVOKPEV-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.18
Rot. Bonds4

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

2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide (PubChem CID 143129174) has the molecular formula C14H12F2N4O3S and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide
PubChem CID143129174
Molecular FormulaC14H12F2N4O3S
Molecular Weight354.34 g/mol
Exact Mass354.06
IUPAC Name2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide
SMILESCc1ccc(F)c(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1F
InChIInChI=1S/C14H12F2N4O3S/c1-5-2-3-7(15)9(10(5)16)12(22)19-8-4-6(11(17)21)13(24-8)20-14(18)23/h2-4H,1H3,(H2,17,21)(H,19,22)(H3,18,20,23)
InChIKeySSDPZKPVVOKPEV-UHFFFAOYSA-N
XLogP2.18
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.18
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
2-(carbamoylamino)-5-[(3-chloro-2-fluorobenzoyl)amino]thiophene-3-carboxamide
CID 143129052
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797496
N-(5-bromo-1,3-thiazol-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82815247
2-(carbamoylamino)-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 143129105
N-(6-chloropyridazin-3-yl)-2,6-difluoro-3-methylbenzamide
CID 115871247
2,6-difluoro-N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 106834840
2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
CID 143129001
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
3-fluoro-2,4-dimethylbenzamide
CID 119006165
2,6-difluoro-N-[3-[(Z)-N'-hydroxycarbamimidoyl]pentan-3-yl]-3-methylbenzamide
CID 82799670
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82814814

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide (CID 143129174) is 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide is Cc1ccc(F)c(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)c1F.
What is the InChIKey of 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is SSDPZKPVVOKPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4O3S/c1-5-2-3-7(15)9(10(5)16)12(22)19-8-4-6(11(17)21)13(24-8)20-14(18)23/h2-4H,1H3,(H2,17,21)(H,19,22)(H3,18,20,23).
What are the key properties of 2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[(2,6-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 354.34 g/mol, XLogP of 2.18, 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-difluoro-3-methylbenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 143129174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).