N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide

C19H28N2O5S — CID 53382749

IUPACN-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1
InChIInChI=1S/C19H28N2O5S/c22-12-18-17(21-27(24,25)13-14-4-2-1-3-5-14)9-8-16(26-18)10-11-20-19(23)15-6-7-15/h1-5,15-18,21-22H,6-13H2,(H,20,23)/t16-,17+,18+/m0/s1
InChIKeyKCJLPEXOQNKRCT-RCCFBDPRSA-N
MW396.51 g/mol
LogP0.93
Rot. Bonds9

About N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide

N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide (PubChem CID 53382749) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
PubChem CID53382749
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC NameN-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide
SMILESO=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1
InChIInChI=1S/C19H28N2O5S/c22-12-18-17(21-27(24,25)13-14-4-2-1-3-5-14)9-8-16(26-18)10-11-20-19(23)15-6-7-15/h1-5,15-18,21-22H,6-13H2,(H,20,23)/t16-,17+,18+/m0/s1
InChIKeyKCJLPEXOQNKRCT-RCCFBDPRSA-N
XLogP0.93
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide (CID 53382749) is N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide is O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CC1.
What is the InChIKey of N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is KCJLPEXOQNKRCT-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H28N2O5S/c22-12-18-17(21-27(24,25)13-14-4-2-1-3-5-14)9-8-16(26-18)10-11-20-19(23)15-6-7-15/h1-5,15-18,21-22H,6-13H2,(H,20,23)/t16-,17+,18+/m0/s1.
What are the key properties of N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide?
N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 396.51 g/mol, XLogP of 0.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,5R,6S)-5-(benzylsulfonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 53382749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).