4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide

C17H21NO4S — CID 86925550

IUPAC4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)c(C)s2)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-10-8-14(23-11(10)2)17(19)18-9-12-6-7-13(20-3)16(22-5)15(12)21-4/h6-8H,9H2,1-5H3,(H,18,19)
InChIKeyZKHJKKNUCDNPCD-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.32
Rot. Bonds6

About 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide

4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 86925550) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID86925550
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)c(C)s2)c(OC)c1OC
InChIInChI=1S/C17H21NO4S/c1-10-8-14(23-11(10)2)17(19)18-9-12-6-7-13(20-3)16(22-5)15(12)21-4/h6-8H,9H2,1-5H3,(H,18,19)
InChIKeyZKHJKKNUCDNPCD-UHFFFAOYSA-N
XLogP3.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3,4-trimethoxyphenyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 86926425
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
4-amino-N-[(2-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61091924
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
N-[[4-(hydroxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 107231462
5-chloro-N-[(2,3,4-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 86925580
2-(2-methylphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 94043014
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-3,4-dimethoxybenzamide
CID 110783214
5-bromo-N-[(2,3-dimethoxyphenyl)methyl]thiophene-2-carboxamide
CID 55594760
N-(2,2-dimethoxyethyl)-4,5-dimethylthiophene-2-carboxamide
CID 60655347

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide (CID 86925550) is 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2cc(C)c(C)s2)c(OC)c1OC.
What is the InChIKey of 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is ZKHJKKNUCDNPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-10-8-14(23-11(10)2)17(19)18-9-12-6-7-13(20-3)16(22-5)15(12)21-4/h6-8H,9H2,1-5H3,(H,18,19).
What are the key properties of 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide?
4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86925550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).