2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide

C15H22N2O5S — CID 164663520

IUPAC2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide
SMILESO=C(CN(CC(O)CO)C1CCS(=O)(=O)C1)Nc1ccccc1
InChIInChI=1S/C15H22N2O5S/c18-10-14(19)8-17(13-6-7-23(21,22)11-13)9-15(20)16-12-4-2-1-3-5-12/h1-5,13-14,18-19H,6-11H2,(H,16,20)
InChIKeyBJHQLPFNTMEBKC-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.53
Rot. Bonds7

About 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide

2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide (PubChem CID 164663520) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide
PubChem CID164663520
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide
SMILESO=C(CN(CC(O)CO)C1CCS(=O)(=O)C1)Nc1ccccc1
InChIInChI=1S/C15H22N2O5S/c18-10-14(19)8-17(13-6-7-23(21,22)11-13)9-15(20)16-12-4-2-1-3-5-12/h1-5,13-14,18-19H,6-11H2,(H,16,20)
InChIKeyBJHQLPFNTMEBKC-UHFFFAOYSA-N
XLogP-0.53
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 164663511
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
N-(3-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 109003480
2-[[(3S)-1,1-dioxothiolan-3-yl]-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 25479249
N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]-2-phenylacetamide
CID 112983871
N-[4-(2-chlorophenoxy)phenyl]-2-[(1,1-dioxothiolan-3-yl)-propylamino]acetamide
CID 55627434
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
N-[4-(diethylsulfamoyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]acetamide
CID 56541246
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 164663354
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]-N-(2-iodophenyl)acetamide
CID 56540953
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-phenylacetamide
CID 111858641

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide (CID 164663520) is 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide is O=C(CN(CC(O)CO)C1CCS(=O)(=O)C1)Nc1ccccc1.
What is the InChIKey of 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide?
The InChIKey is BJHQLPFNTMEBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c18-10-14(19)8-17(13-6-7-23(21,22)11-13)9-15(20)16-12-4-2-1-3-5-12/h1-5,13-14,18-19H,6-11H2,(H,16,20).
What are the key properties of 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide?
2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide has a molecular weight of 342.42 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 164663520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).