5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide

C14H14FN3O2S — CID 79611958

IUPAC5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H14FN3O2S/c1-7-11(15)3-8(13(16)19)4-12(7)18-5-10-2-9(6-21-10)14(17)20/h2-4,6,18H,5H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyJCRIAFRXLNGSNB-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.01
Rot. Bonds5

About 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide

5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79611958) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
PubChem CID79611958
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H14FN3O2S/c1-7-11(15)3-8(13(16)19)4-12(7)18-5-10-2-9(6-21-10)14(17)20/h2-4,6,18H,5H2,1H3,(H2,16,19)(H2,17,20)
InChIKeyJCRIAFRXLNGSNB-UHFFFAOYSA-N
XLogP2.01
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
3-[(5-bromothiophen-3-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735810
5-[(5-chloro-2-fluoroanilino)methyl]thiophene-3-carboxamide
CID 79614589
3-[(4-ethylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735719
5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
3-[(2,4-difluorophenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 43735711
3-[(5-chlorofuran-2-yl)methylamino]-5-fluoro-4-methylbenzamide
CID 60780936
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700
3-[(2-bromo-4-methylphenyl)methylamino]-5-fluoro-4-methylbenzamide
CID 115556847

Frequently Asked Questions

What is the IUPAC name of 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide (CID 79611958) is 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide is Cc1c(F)cc(C(N)=O)cc1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is JCRIAFRXLNGSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-7-11(15)3-8(13(16)19)4-12(7)18-5-10-2-9(6-21-10)14(17)20/h2-4,6,18H,5H2,1H3,(H2,16,19)(H2,17,20).
What are the key properties of 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide?
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).