N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C16H14N2OS2 — CID 80711669

IUPACN-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc3c(s2)CCSC3)cc1
InChIInChI=1S/C16H14N2OS2/c17-8-11-1-3-12(4-2-11)9-18-16(19)15-7-13-10-20-6-5-14(13)21-15/h1-4,7H,5-6,9-10H2,(H,18,19)
InChIKeyUWGSYUCXFAXJJB-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.34
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 80711669) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID80711669
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC NameN-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cc3c(s2)CCSC3)cc1
InChIInChI=1S/C16H14N2OS2/c17-8-11-1-3-12(4-2-11)9-18-16(19)15-7-13-10-20-6-5-14(13)21-15/h1-4,7H,5-6,9-10H2,(H,18,19)
InChIKeyUWGSYUCXFAXJJB-UHFFFAOYSA-N
XLogP3.34
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80709060
N-[(4-cyanophenyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 60736885
N-[(1-hydroxycyclobutyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 115700141
N-(3,3-difluoro-2-hydroxypropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 103770045
N-(6-chlorohexyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114008438
6-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)hexanoic acid
CID 81269085
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 107486709
N-(2-bromo-3-methoxypropyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113274560
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)-2-methoxypropanoic acid
CID 114144327
N-[[2-(bromomethyl)cyclopentyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114317282
N-[(2-chlorocyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 114301654
N-(3-azabicyclo[3.1.0]hexan-6-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261660

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 80711669) is N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is N#Cc1ccc(CNC(=O)c2cc3c(s2)CCSC3)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is UWGSYUCXFAXJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c17-8-11-1-3-12(4-2-11)9-18-16(19)15-7-13-10-20-6-5-14(13)21-15/h1-4,7H,5-6,9-10H2,(H,18,19).
What are the key properties of N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 314.44 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 80711669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).