2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide

C19H24N2O4S — CID 92517180

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-16(15-25-2)20-19(22)14-21(13-17-9-5-3-6-10-17)26(23,24)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyRFTGQKDTHSIMFE-INIZCTEOSA-N
MW376.48 g/mol
LogP2.03
Rot. Bonds9

About 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide

2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide (PubChem CID 92517180) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
PubChem CID92517180
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-16(15-25-2)20-19(22)14-21(13-17-9-5-3-6-10-17)26(23,24)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyRFTGQKDTHSIMFE-INIZCTEOSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide (CID 92517180) is 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide is COC[C@H](C)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
The InChIKey is RFTGQKDTHSIMFE-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-16(15-25-2)20-19(22)14-21(13-17-9-5-3-6-10-17)26(23,24)18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-[(2S)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 92517180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).