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

C16H18N2O4S — CID 841038

IUPAC2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC
InChIInChI=1S/C16H18N2O4S/c1-8-9(2)23-16(13(8)14(17)19)18-15(20)10-5-6-11(21-3)12(7-10)22-4/h5-7H,1-4H3,(H2,17,19)(H,18,20)
InChIKeyLIHHSRQLJBNWMY-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.73
Rot. Bonds5

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

2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 841038) has the molecular formula C16H18N2O4S and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID841038
Molecular FormulaC16H18N2O4S
Molecular Weight334.40 g/mol
Exact Mass334.10
IUPAC Name2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC
InChIInChI=1S/C16H18N2O4S/c1-8-9(2)23-16(13(8)14(17)19)18-15(20)10-5-6-11(21-3)12(7-10)22-4/h5-7H,1-4H3,(H2,17,19)(H,18,20)
InChIKeyLIHHSRQLJBNWMY-UHFFFAOYSA-N
XLogP2.73
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500354
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165
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-[(3,4-dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1048845
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 4957428
2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 6159506
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 2483299
4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 4954977
4-O-ethyl 2-O-propan-2-yl 5-[(3,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19182080

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (CID 841038) is 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is LIHHSRQLJBNWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S/c1-8-9(2)23-16(13(8)14(17)19)18-15(20)10-5-6-11(21-3)12(7-10)22-4/h5-7H,1-4H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 841038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).