N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C20H23NO3S — CID 126826969

IUPACN-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(c1cc2c(s1)CCOC2)N(Cc1ccccc1)CC1(CO)CC1
InChIInChI=1S/C20H23NO3S/c22-14-20(7-8-20)13-21(11-15-4-2-1-3-5-15)19(23)18-10-16-12-24-9-6-17(16)25-18/h1-5,10,22H,6-9,11-14H2
InChIKeyRGQSUFAMRGRGQQ-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.24
Rot. Bonds6

About N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 126826969) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID126826969
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC NameN-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESO=C(c1cc2c(s1)CCOC2)N(Cc1ccccc1)CC1(CO)CC1
InChIInChI=1S/C20H23NO3S/c22-14-20(7-8-20)13-21(11-15-4-2-1-3-5-15)19(23)18-10-16-12-24-9-6-17(16)25-18/h1-5,10,22H,6-9,11-14H2
InChIKeyRGQSUFAMRGRGQQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 126826969) is N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is O=C(c1cc2c(s1)CCOC2)N(Cc1ccccc1)CC1(CO)CC1.
What is the InChIKey of N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is RGQSUFAMRGRGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c22-14-20(7-8-20)13-21(11-15-4-2-1-3-5-15)19(23)18-10-16-12-24-9-6-17(16)25-18/h1-5,10,22H,6-9,11-14H2.
What are the key properties of N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 126826969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).