N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C16H17NO3S — CID 110932711

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc2c(s1)CCOC2
InChIInChI=1S/C16H17NO3S/c18-9-12-4-2-1-3-11(12)8-17-16(19)15-7-13-10-20-6-5-14(13)21-15/h1-4,7,18H,5-6,8-10H2,(H,17,19)
InChIKeyJNDSZPMEFGDXCK-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.24
Rot. Bonds4

About N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 110932711) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID110932711
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cc2c(s1)CCOC2
InChIInChI=1S/C16H17NO3S/c18-9-12-4-2-1-3-11(12)8-17-16(19)15-7-13-10-20-6-5-14(13)21-15/h1-4,7,18H,5-6,8-10H2,(H,17,19)
InChIKeyJNDSZPMEFGDXCK-UHFFFAOYSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide 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

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
CID 119353158
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
(5R)-5-methyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9481439
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 126826969
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 127500320
N-(3-piperazin-1-ylpropyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119393555
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31815067
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111478893
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 110932711) is N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is O=C(NCc1ccccc1CO)c1cc2c(s1)CCOC2.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is JNDSZPMEFGDXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-9-12-4-2-1-3-11(12)8-17-16(19)15-7-13-10-20-6-5-14(13)21-15/h1-4,7,18H,5-6,8-10H2,(H,17,19).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 110932711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).