1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide

C23H24N2OS — CID 90799682

IUPAC1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)c1[nH]c(Cc2ccccc2)c2c1CSCC2)c1ccccc1
InChIInChI=1S/C23H24N2OS/c1-16(18-10-6-3-7-11-18)24-23(26)22-20-15-27-13-12-19(20)21(25-22)14-17-8-4-2-5-9-17/h2-11,16,25H,12-15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyKZXVSQGEMPFTMY-MRXNPFEDSA-N
MW376.52 g/mol
LogP4.89
Rot. Bonds5

About 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide

1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide (PubChem CID 90799682) has the molecular formula C23H24N2OS and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide
PubChem CID90799682
Molecular FormulaC23H24N2OS
Molecular Weight376.52 g/mol
Exact Mass376.16
IUPAC Name1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide
SMILESC[C@@H](NC(=O)c1[nH]c(Cc2ccccc2)c2c1CSCC2)c1ccccc1
InChIInChI=1S/C23H24N2OS/c1-16(18-10-6-3-7-11-18)24-23(26)22-20-15-27-13-12-19(20)21(25-22)14-17-8-4-2-5-9-17/h2-11,16,25H,12-15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyKZXVSQGEMPFTMY-MRXNPFEDSA-N
XLogP4.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide (CID 90799682) is 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide is C[C@@H](NC(=O)c1[nH]c(Cc2ccccc2)c2c1CSCC2)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide?
The InChIKey is KZXVSQGEMPFTMY-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-16(18-10-6-3-7-11-18)24-23(26)22-20-15-27-13-12-19(20)21(25-22)14-17-8-4-2-5-9-17/h2-11,16,25H,12-15H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide?
1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide has a molecular weight of 376.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-phenylethyl]-2,4,6,7-tetrahydrothiopyrano[3,4-c]pyrrole-3-carboxamide is sourced from PubChem (CID 90799682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).