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

C15H17N3O3S — CID 829007

IUPACN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)C2CC2)c1C#N
InChIInChI=1S/C15H17N3O3S/c1-9-11(8-16)14(17-13(19)10-2-3-10)22-12(9)15(20)18-4-6-21-7-5-18/h10H,2-7H2,1H3,(H,17,19)
InChIKeyNPFWEPRVVRKLNZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.75
Rot. Bonds3

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

N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 829007) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
PubChem CID829007
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)C2CC2)c1C#N
InChIInChI=1S/C15H17N3O3S/c1-9-11(8-16)14(17-13(19)10-2-3-10)22-12(9)15(20)18-4-6-21-7-5-18/h10H,2-7H2,1H3,(H,17,19)
InChIKeyNPFWEPRVVRKLNZ-UHFFFAOYSA-N
XLogP1.75
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.75
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
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
N-[3-Cyano-4-methyl-5-(piperidine-1-carbonyl)-thiophen-2-yl]-isobutyramide
CID 654813
Ethyl {[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)thien-2-yl]amino}(oxo)acetate
CID 3141694
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 2-[[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]amino]-2-oxoacetate
CID 3141652
2-Amino-4-methyl-5-(piperidin-1-ylcarbonyl)thiophene-3-carbonitrile
CID 685920
6-acetyl-2-(cyclopropanecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4623325
2-(cyclopropanecarbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4654766
N-[3-cyano-4-methyl-5-(morpholin-4-ylcarbonyl)(2-thienyl)]-2-phenylacetamide
CID 1130980
N-[3-cyano-4-methyl-5-(piperidylcarbonyl)(2-thienyl)]cyclopropylcarboxamide
CID 650633

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (CID 829007) is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is Cc1c(C(=O)N2CCOCC2)sc(NC(=O)C2CC2)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is NPFWEPRVVRKLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-11(8-16)14(17-13(19)10-2-3-10)22-12(9)15(20)18-4-6-21-7-5-18/h10H,2-7H2,1H3,(H,17,19).
What are the key properties of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.75, 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]cyclopropanecarboxamide is sourced from PubChem (CID 829007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).