2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C17H20N2O4S — CID 4140165

IUPAC2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-9-10(2)24-17(15(9)16(18)21)19-14(20)8-11-5-6-12(22-3)13(7-11)23-4/h5-7H,8H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeySIACLLZKWSDICQ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.66
Rot. Bonds6

About 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 4140165) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID4140165
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC
InChIInChI=1S/C17H20N2O4S/c1-9-10(2)24-17(15(9)16(18)21)19-14(20)8-11-5-6-12(22-3)13(7-11)23-4/h5-7H,8H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeySIACLLZKWSDICQ-UHFFFAOYSA-N
XLogP2.66
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
methyl 2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 5139669
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]thiophene-3-carboxamide
CID 2091135
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 6159506
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1293810
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 969209
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
2-[(4-chloro-2-methoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56824654
2-[(2,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 844073
2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 3482744

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 4140165) is 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is COc1ccc(CC(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC.
What is the InChIKey of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is SIACLLZKWSDICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-9-10(2)24-17(15(9)16(18)21)19-14(20)8-11-5-6-12(22-3)13(7-11)23-4/h5-7H,8H2,1-4H3,(H2,18,21)(H,19,20).
What are the key properties of 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 4140165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).