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

C17H24N2O4S — CID 164663511

IUPAC2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(CC1CCCO1)C1CCS(=O)(=O)C1)Nc1ccccc1
InChIInChI=1S/C17H24N2O4S/c20-17(18-14-5-2-1-3-6-14)12-19(11-16-7-4-9-23-16)15-8-10-24(21,22)13-15/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)
InChIKeyICUMRXGUCBGMQP-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.29
Rot. Bonds6

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

2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (PubChem CID 164663511) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
PubChem CID164663511
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide
SMILESO=C(CN(CC1CCCO1)C1CCS(=O)(=O)C1)Nc1ccccc1
InChIInChI=1S/C17H24N2O4S/c20-17(18-14-5-2-1-3-6-14)12-19(11-16-7-4-9-23-16)15-8-10-24(21,22)13-15/h1-3,5-6,15-16H,4,7-13H2,(H,18,20)
InChIKeyICUMRXGUCBGMQP-UHFFFAOYSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 164663354
2-[(1,1-dioxothiolan-3-yl)-(oxan-2-ylmethyl)amino]acetic acid
CID 60839895
N-[2-(4-chlorophenyl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]acetamide
CID 112800421
2-[2,3-dihydroxypropyl-(1,1-dioxothiolan-3-yl)amino]-N-phenylacetamide
CID 164663520
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-4-phenoxybenzamide
CID 8019925
2-[benzyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 60514317
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(phenoxymethyl)benzamide
CID 41029881
(3S)-N-[(2-chlorophenyl)methyl]-1,1-dioxo-N-[[(2R)-oxolan-2-yl]methyl]thiolan-3-amine
CID 124777743
2-[methylsulfonyl(oxolan-2-ylmethyl)amino]-N-phenylacetamide
CID 113149672
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449873
N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 9449872
2-[(1,1-dioxothiolan-3-yl)-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65162087

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide (CID 164663511) is 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is O=C(CN(CC1CCCO1)C1CCS(=O)(=O)C1)Nc1ccccc1.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
The InChIKey is ICUMRXGUCBGMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(18-14-5-2-1-3-6-14)12-19(11-16-7-4-9-23-16)15-8-10-24(21,22)13-15/h1-3,5-6,15-16H,4,7-13H2,(H,18,20).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide?
2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide has a molecular weight of 352.46 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)-(oxolan-2-ylmethyl)amino]-N-phenylacetamide is sourced from PubChem (CID 164663511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).