N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C17H21NO4S — CID 111478893

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc3c(s2)CCOC3)c(C)o1
InChIInChI=1S/C17H21NO4S/c1-10-6-13(11(2)22-10)17(3,20)9-18-16(19)15-7-12-8-21-5-4-14(12)23-15/h6-7,20H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyBVBWLBVNGBPLNO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 111478893) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID111478893
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2cc3c(s2)CCOC3)c(C)o1
InChIInChI=1S/C17H21NO4S/c1-10-6-13(11(2)22-10)17(3,20)9-18-16(19)15-7-12-8-21-5-4-14(12)23-15/h6-7,20H,4-5,8-9H2,1-3H3,(H,18,19)
InChIKeyBVBWLBVNGBPLNO-UHFFFAOYSA-N
XLogP2.67
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
4-(dimethylamino)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111478838
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
5-chloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]furan-2-carboxamide
CID 111478926
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119608083
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 126799361
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 111478893) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2cc3c(s2)CCOC3)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is BVBWLBVNGBPLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-10-6-13(11(2)22-10)17(3,20)9-18-16(19)15-7-12-8-21-5-4-14(12)23-15/h6-7,20H,4-5,8-9H2,1-3H3,(H,18,19).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 335.43 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 111478893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).