N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide

C14H18N2O2S — CID 2965288

IUPACN-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide
SMILESCCC(=O)Nc1sc2c(c1C#N)CC(C)(CC)OC2
InChIInChI=1S/C14H18N2O2S/c1-4-12(17)16-13-10(7-15)9-6-14(3,5-2)18-8-11(9)19-13/h4-6,8H2,1-3H3,(H,16,17)
InChIKeyCXCNCIAFSMZPMT-UHFFFAOYSA-N
MW278.38 g/mol
LogP3.21
Rot. Bonds3

About N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide

N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide (PubChem CID 2965288) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide
PubChem CID2965288
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide
SMILESCCC(=O)Nc1sc2c(c1C#N)CC(C)(CC)OC2
InChIInChI=1S/C14H18N2O2S/c1-4-12(17)16-13-10(7-15)9-6-14(3,5-2)18-8-11(9)19-13/h4-6,8H2,1-3H3,(H,16,17)
InChIKeyCXCNCIAFSMZPMT-UHFFFAOYSA-N
XLogP3.21
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]propanamide
CID 899066
N-(3-cyano-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)propanamide
CID 4282187
2-(ethoxymethylamino)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carbonitrile
CID 25249118
1-benzyl-3-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)thiourea
CID 1130541
[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] propanoate
CID 7851205
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanamide
CID 4134135
N-(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 5217689
(1R,6R)-4-chloro-6-[(3-cyano-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1002032
N-[(5S)-3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide
CID 7091987
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(dipropylamino)propanamide
CID 34599896
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)heptanamide
CID 3334122
ethyl (5S)-2-(cyclohexylcarbamothioylamino)-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate
CID 40636747

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide?
The IUPAC name of N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide (CID 2965288) is N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide.
What is the SMILES notation for N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide?
The canonical SMILES for N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide is CCC(=O)Nc1sc2c(c1C#N)CC(C)(CC)OC2.
What is the InChIKey of N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide?
The InChIKey is CXCNCIAFSMZPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-4-12(17)16-13-10(7-15)9-6-14(3,5-2)18-8-11(9)19-13/h4-6,8H2,1-3H3,(H,16,17).
What are the key properties of N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide?
N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide has a molecular weight of 278.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethyl-5-methyl-4,7-dihydrothieno[2,3-c]pyran-2-yl)propanamide is sourced from PubChem (CID 2965288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).