2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide

C20H30N2O5S — CID 54638800

IUPAC2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1
InChIInChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19+/m0/s1
InChIKeyVPHPWASIVZFRRJ-YTQUADARSA-N
MW410.54 g/mol
LogP1.49
Rot. Bonds9

About 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide

2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide (PubChem CID 54638800) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide
PubChem CID54638800
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1
InChIInChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19+/m0/s1
InChIKeyVPHPWASIVZFRRJ-YTQUADARSA-N
XLogP1.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide 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 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide (CID 54638800) is 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide is Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[C@H](NC(=O)CC3CC3)[C@@H](CO)O2)cc1.
What is the InChIKey of 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide?
The InChIKey is VPHPWASIVZFRRJ-YTQUADARSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-14-2-7-17(8-3-14)28(25,26)21-11-10-16-6-9-18(19(13-23)27-16)22-20(24)12-15-4-5-15/h2-3,7-8,15-16,18-19,21,23H,4-6,9-13H2,1H3,(H,22,24)/t16-,18-,19+/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide?
2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 1.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]acetamide is sourced from PubChem (CID 54638800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).