4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide

C19H21N3O2S — CID 1040259

IUPAC4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C
InChIInChI=1S/C19H21N3O2S/c1-5-22(6-2)19(24)16-13(4)15(11-20)18(25-16)21-17(23)14-9-7-8-12(3)10-14/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyMYYVGYFZNZCJSO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.97
Rot. Bonds5

About 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide

4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide (PubChem CID 1040259) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
PubChem CID1040259
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C
InChIInChI=1S/C19H21N3O2S/c1-5-22(6-2)19(24)16-13(4)15(11-20)18(25-16)21-17(23)14-9-7-8-12(3)10-14/h7-10H,5-6H2,1-4H3,(H,21,23)
InChIKeyMYYVGYFZNZCJSO-UHFFFAOYSA-N
XLogP3.97
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-5-[(3,4-dimethoxybenzoyl)amino]-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1131492
4-cyano-N,N-diethyl-3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2-carboxamide
CID 3766067
N,N'-bis[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]butanediamide
CID 4609681
5-[(5-chlorothiophene-2-carbonyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 5107734
N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]-2-methylfuran-3-carboxamide
CID 3559996
5-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 1221070
5-[(2-chloro-4-nitrobenzoyl)amino]-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 3351801
methyl 4-cyano-5-[[4-[(3-cyano-5-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]benzoyl]amino]-3-methylthiophene-2-carboxylate
CID 4640060
4-cyano-N,N-diethyl-3-methyl-5-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-2-carboxamide
CID 4675086
N-(3-cyano-4,5-dimethylthiophen-2-yl)-3-ethoxybenzamide
CID 2970676
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-methylbenzamide
CID 903587

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide (CID 1040259) is 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide is CCN(CC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C.
What is the InChIKey of 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide?
The InChIKey is MYYVGYFZNZCJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-5-22(6-2)19(24)16-13(4)15(11-20)18(25-16)21-17(23)14-9-7-8-12(3)10-14/h7-10H,5-6H2,1-4H3,(H,21,23).
What are the key properties of 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide?
4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N,N-diethyl-3-methyl-5-[(3-methylbenzoyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 1040259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).