N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide

C15H19N3O3S — CID 828996

IUPACN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)C(C)C)c1C#N
InChIInChI=1S/C15H19N3O3S/c1-9(2)13(19)17-14-11(8-16)10(3)12(22-14)15(20)18-4-6-21-7-5-18/h9H,4-7H2,1-3H3,(H,17,19)
InChIKeyVKHLCMRNIVVZMP-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.00
Rot. Bonds3

About N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide

N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide (PubChem CID 828996) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide
PubChem CID828996
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)C(C)C)c1C#N
InChIInChI=1S/C15H19N3O3S/c1-9(2)13(19)17-14-11(8-16)10(3)12(22-14)15(20)18-4-6-21-7-5-18/h9H,4-7H2,1-3H3,(H,17,19)
InChIKeyVKHLCMRNIVVZMP-UHFFFAOYSA-N
XLogP2.00
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]acetamide
CID 828995
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
Methyl [4-ethyl-5-methyl-3-(1-piperidinylcarbonyl)-2-thienyl]carbamate
CID 1245049
Ethyl {[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)thien-2-yl]amino}(oxo)acetate
CID 3141694
6-acetyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4583251
N-[5-(N,N-diethylcarbamoyl)-3-cyano-4-methyl(2-thienyl)]-2-methylpropanamide
CID 829009
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholinoacetamide
CID 2816626
Ethyl {[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-YL]carbamoyl}formate
CID 3141652
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
CID 685920
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-fluorobenzamide
CID 1130935
N-[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)(2-thienyl)]-2-phenylacetamide
CID 1130980

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide (CID 828996) is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide is Cc1c(C(=O)N2CCOCC2)sc(NC(=O)C(C)C)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide?
The InChIKey is VKHLCMRNIVVZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9(2)13(19)17-14-11(8-16)10(3)12(22-14)15(20)18-4-6-21-7-5-18/h9H,4-7H2,1-3H3,(H,17,19).
What are the key properties of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide?
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide has a molecular weight of 321.40 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-methylpropanamide is sourced from PubChem (CID 828996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).