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

C16H18N2O3S — CID 4957428

IUPAC2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1
InChIInChI=1S/C16H18N2O3S/c1-4-21-12-7-5-6-11(8-12)15(20)18-16-13(14(17)19)9(2)10(3)22-16/h5-8H,4H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyMVIHRPIIFMCFCH-UHFFFAOYSA-N
MW318.40 g/mol
LogP3.11
Rot. Bonds5

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

2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 4957428) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID4957428
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Name2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCCOc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1
InChIInChI=1S/C16H18N2O3S/c1-4-21-12-7-5-6-11(8-12)15(20)18-16-13(14(17)19)9(2)10(3)22-16/h5-8H,4H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyMVIHRPIIFMCFCH-UHFFFAOYSA-N
XLogP3.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 4954977
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
4,5-dimethyl-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide
CID 17140589
2-[(3-butoxybenzoyl)carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 4957072
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
4-ethyl-5-methyl-2-[[3-(2-methylpropoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168960
4,5-dimethyl-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]thiophene-3-carboxamide
CID 4955273
ethyl 4-carbamoyl-3-methyl-5-[(3-pentoxybenzoyl)amino]thiophene-2-carboxylate
CID 7521216
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
ethyl 2-[(3-ethoxybenzoyl)amino]-5-ethylthiophene-3-carboxylate
CID 874629
ethyl 2-[[3-(dimethylamino)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 26902207
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide (CID 4957428) is 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is CCOc1cccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1.
What is the InChIKey of 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is MVIHRPIIFMCFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-4-21-12-7-5-6-11(8-12)15(20)18-16-13(14(17)19)9(2)10(3)22-16/h5-8H,4H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide?
2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 4957428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).