5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide

C15H18N2O3S — CID 79611398

IUPAC5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cc(C)c(NCc2cc(C(N)=O)cs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-9-4-13(19-2)14(20-3)6-12(9)17-7-11-5-10(8-21-11)15(16)18/h4-6,8,17H,7H2,1-3H3,(H2,16,18)
InChIKeyMXTTXBNWAQJATP-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.78
Rot. Bonds6

About 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide

5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide (PubChem CID 79611398) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
PubChem CID79611398
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
SMILESCOc1cc(C)c(NCc2cc(C(N)=O)cs2)cc1OC
InChIInChI=1S/C15H18N2O3S/c1-9-4-13(19-2)14(20-3)6-12(9)17-7-11-5-10(8-21-11)15(16)18/h4-6,8,17H,7H2,1-3H3,(H2,16,18)
InChIKeyMXTTXBNWAQJATP-UHFFFAOYSA-N
XLogP2.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
5-[(4-bromo-2-methoxy-6-methylanilino)methyl]thiophene-3-carboxamide
CID 79613778
5-[(2,4-dimethyl-5-nitroanilino)methyl]thiophene-3-carboxamide
CID 104757446
5-[(3,4-dimethylanilino)methyl]thiophene-3-carboxamide
CID 79605741
5-[(5-cyano-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79613618
5-[(5-carbamoyl-3-fluoro-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611958
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
CID 79613750
5-[(4-methyl-2-propoxyanilino)methyl]thiophene-3-carboxamide
CID 79612277
5-[(2-cyano-6-methoxyanilino)methyl]thiophene-3-carboxamide
CID 107466870
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
methyl (2S)-2-[(4-carbamoylthiophen-2-yl)methylamino]propanoate
CID 79613507

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide (CID 79611398) is 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide is COc1cc(C)c(NCc2cc(C(N)=O)cs2)cc1OC.
What is the InChIKey of 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide?
The InChIKey is MXTTXBNWAQJATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-4-13(19-2)14(20-3)6-12(9)17-7-11-5-10(8-21-11)15(16)18/h4-6,8,17H,7H2,1-3H3,(H2,16,18).
What are the key properties of 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide?
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79611398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).