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

C19H19N3O3S — CID 1130980

IUPACN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)Cc2ccccc2)c1C#N
InChIInChI=1S/C19H19N3O3S/c1-13-15(12-20)18(21-16(23)11-14-5-3-2-4-6-14)26-17(13)19(24)22-7-9-25-10-8-22/h2-6H,7-11H2,1H3,(H,21,23)
InChIKeyDSTIDULMAYBCHI-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.58
Rot. Bonds4

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

N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide (PubChem CID 1130980) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide
PubChem CID1130980
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide
SMILESCc1c(C(=O)N2CCOCC2)sc(NC(=O)Cc2ccccc2)c1C#N
InChIInChI=1S/C19H19N3O3S/c1-13-15(12-20)18(21-16(23)11-14-5-3-2-4-6-14)26-17(13)19(24)22-7-9-25-10-8-22/h2-6H,7-11H2,1H3,(H,21,23)
InChIKeyDSTIDULMAYBCHI-UHFFFAOYSA-N
XLogP2.58
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-isobutyramide
CID 828996
N-(6-acetyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597271
N-(3-Benzoyl-4,5-dimethyl-thiophen-2-yl)-2-morpholin-4-yl-acetamide
CID 1358927
N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
CID 20855297
2-(benzylamino)-6-(4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735966
4-Methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-amine
CID 2120324
N-[3-Cyano-4-methyl-5-(pyrrolidine-1-carbonyl)-thiophen-2-yl]-benzamide
CID 829077
N-[4,5-dimethyl-3-(1-piperidinylmethyl)-2-thienyl]-2-fluorobenzamide
CID 852250
N-(3-cyano-5-methyl-4-phenylthiophen-2-yl)benzamide
CID 1247091
N-[3-Cyano-4-methyl-5-(morpholine-4-carbonyl)-thiophen-2-yl]-4-nitro-benzamide
CID 3141589
N-[5-ethyl-3-[(4-fluorophenyl)-(4-morpholinyl)methyl]-2-thiophenyl]benzamide
CID 3542312
6-Acetyl-2-(2-phenylacetamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 4105344

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide?
The IUPAC name of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide (CID 1130980) is N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide.
What is the SMILES notation for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide?
The canonical SMILES for N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide is Cc1c(C(=O)N2CCOCC2)sc(NC(=O)Cc2ccccc2)c1C#N.
What is the InChIKey of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide?
The InChIKey is DSTIDULMAYBCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13-15(12-20)18(21-16(23)11-14-5-3-2-4-6-14)26-17(13)19(24)22-7-9-25-10-8-22/h2-6H,7-11H2,1H3,(H,21,23).
What are the key properties of N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide?
N-[3-cyano-4-methyl-5-(morpholine-4-carbonyl)thiophen-2-yl]-2-phenylacetamide has a molecular weight of 369.45 g/mol, XLogP of 2.58, 4 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-phenylacetamide is sourced from PubChem (CID 1130980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).