5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide

C14H16N2O2S — CID 79613750

IUPAC5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
SMILESCOCc1ccccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H16N2O2S/c1-18-8-10-4-2-3-5-13(10)16-7-12-6-11(9-19-12)14(15)17/h2-6,9,16H,7-8H2,1H3,(H2,15,17)
InChIKeyCGILVBPFJKIQQU-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.61
Rot. Bonds6

About 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide

5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide (PubChem CID 79613750) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
PubChem CID79613750
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide
SMILESCOCc1ccccc1NCc1cc(C(N)=O)cs1
InChIInChI=1S/C14H16N2O2S/c1-18-8-10-4-2-3-5-13(10)16-7-12-6-11(9-19-12)14(15)17/h2-6,9,16H,7-8H2,1H3,(H2,15,17)
InChIKeyCGILVBPFJKIQQU-UHFFFAOYSA-N
XLogP2.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(trifluoromethyl)anilino]methyl]thiophene-3-carboxamide
CID 79606552
5-[(2-methylsulfonylanilino)methyl]thiophene-3-carboxamide
CID 79614007
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
5-[(3-carbamoyl-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79614087
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carbonitrile
CID 79613833
5-[(2,3-dichloroanilino)methyl]thiophene-3-carboxamide
CID 79614071
5-[(4-fluoro-2-methoxyanilino)methyl]thiophene-3-carboxamide
CID 79614297
5-[(4,5-dimethoxy-2-methylanilino)methyl]thiophene-3-carboxamide
CID 79611398
methyl 4-[(4-carbamoylthiophen-2-yl)methylamino]benzoate
CID 79613574
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
5-[(2-pyrazol-1-ylanilino)methyl]thiophene-3-carboxamide
CID 79611377
4-[(4-carbamoylthiophen-2-yl)methylamino]-3-methylbenzoic acid
CID 79614700

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide?
The IUPAC name of 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide (CID 79613750) is 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide is COCc1ccccc1NCc1cc(C(N)=O)cs1.
What is the InChIKey of 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide?
The InChIKey is CGILVBPFJKIQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-18-8-10-4-2-3-5-13(10)16-7-12-6-11(9-19-12)14(15)17/h2-6,9,16H,7-8H2,1H3,(H2,15,17).
What are the key properties of 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide?
5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methoxymethyl)anilino]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 79613750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).