4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide

C15H21N3O2S — CID 829009

IUPAC4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)C(C)C)c(C#N)c1C
InChIInChI=1S/C15H21N3O2S/c1-6-18(7-2)15(20)12-10(5)11(8-16)14(21-12)17-13(19)9(3)4/h9H,6-7H2,1-5H3,(H,17,19)
InChIKeyLELUEBBZTDPTMS-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.00
Rot. Bonds5

About 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide

4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide (PubChem CID 829009) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide
PubChem CID829009
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sc(NC(=O)C(C)C)c(C#N)c1C
InChIInChI=1S/C15H21N3O2S/c1-6-18(7-2)15(20)12-10(5)11(8-16)14(21-12)17-13(19)9(3)4/h9H,6-7H2,1-5H3,(H,17,19)
InChIKeyLELUEBBZTDPTMS-UHFFFAOYSA-N
XLogP3.00
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-acetamide
CID 828995
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide
CID 3160709
N-(3-cyano-4,5-dimethyl-2-thienyl)cyclopentanecarboxamide
CID 903195
5-amino-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide
CID 673648
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
4-cyano-N,N-diethyl-3-methyl-5-[(2-thiophen-2-ylacetyl)amino]thiophene-2-carboxamide
CID 655690
4-cyano-N,N-diethyl-3-methyl-5-[(thiophen-2-ylcarbonyl)amino]thiophene-2-carboxamide
CID 829012
2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)acetamide
CID 1245387
N-(3-cyano-4,5-dimethyl-2-thienyl)hexanamide
CID 1740802
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251
Ethyl 2-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]amino]-2-oxoacetate
CID 3141652

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide?
The IUPAC name of 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide (CID 829009) is 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide.
What is the SMILES notation for 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide?
The canonical SMILES for 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide is CCN(CC)C(=O)c1sc(NC(=O)C(C)C)c(C#N)c1C.
What is the InChIKey of 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide?
The InChIKey is LELUEBBZTDPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-6-18(7-2)15(20)12-10(5)11(8-16)14(21-12)17-13(19)9(3)4/h9H,6-7H2,1-5H3,(H,17,19).
What are the key properties of 4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide?
4-cyano-N,N-diethyl-3-methyl-5-(2-methylpropanoylamino)thiophene-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 3.00, 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-(2-methylpropanoylamino)thiophene-2-carboxamide is sourced from PubChem (CID 829009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).