N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

C17H22N4O4S — CID 31479026

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H22N4O4S/c1-2-21(10-15(22)18-14-8-9-26(23,24)12-14)11-16-19-20-17(25-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyZRRYGLDUWQBJBA-AWEZNQCLSA-N
MW378.45 g/mol
LogP0.86
Rot. Bonds7

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (PubChem CID 31479026) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
PubChem CID31479026
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C17H22N4O4S/c1-2-21(10-15(22)18-14-8-9-26(23,24)12-14)11-16-19-20-17(25-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,22)/t14-/m0/s1
InChIKeyZRRYGLDUWQBJBA-AWEZNQCLSA-N
XLogP0.86
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 47010898
N-(1,1-dioxothiolan-3-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18109683
N-(1,1-dioxothiolan-3-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4572602
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
ethyl N-[2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetyl]carbamate
CID 8799683
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
CID 26512857
1,1-dioxo-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]thiolan-3-amine
CID 110653681
2-[[2-[[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-ethylamino]acetyl]amino]-N-phenylbenzamide
CID 4968783
N-(1,1-dioxothiolan-3-yl)-2-[methyl-[(2-phenyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 60508810
2-[[3-(difluoromethoxy)phenyl]methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47088151
N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,1-dioxothiolan-3-amine
CID 110651696
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 4968344

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide (CID 31479026) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
The InChIKey is ZRRYGLDUWQBJBA-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-21(10-15(22)18-14-8-9-26(23,24)12-14)11-16-19-20-17(25-16)13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,18,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide has a molecular weight of 378.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 31479026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).