N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide

C16H24N2O3S — CID 26512857

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-3-18(10-14-6-4-5-13(2)9-14)11-16(19)17-15-7-8-22(20,21)12-15/h4-6,9,15H,3,7-8,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyWQNAGXPUOZOOGK-HNNXBMFYSA-N
MW324.45 g/mol
LogP1.12
Rot. Bonds6

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide (PubChem CID 26512857) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
PubChem CID26512857
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(C)c1
InChIInChI=1S/C16H24N2O3S/c1-3-18(10-14-6-4-5-13(2)9-14)11-16(19)17-15-7-8-22(20,21)12-15/h4-6,9,15H,3,7-8,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1
InChIKeyWQNAGXPUOZOOGK-HNNXBMFYSA-N
XLogP1.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(difluoromethoxy)phenyl]methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 47088151
2-(dibenzylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 51140167
N-(1,1-dioxothiolan-3-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-ethylamino]acetamide
CID 18144581
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
N-(1,1-dioxothiolan-3-yl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996740
N-(1,1-dioxothiolan-3-yl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019597
2-[(2-bromo-4,5-diethoxyphenyl)methyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 17481956
N-(1,1-dioxothiolan-3-yl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62556402
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]acetamide
CID 31479026
2-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl-ethylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 129446377
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
CID 47010898
1-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135309

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide (CID 26512857) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide is CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(C)c1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide?
The InChIKey is WQNAGXPUOZOOGK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-18(10-14-6-4-5-13(2)9-14)11-16(19)17-15-7-8-22(20,21)12-15/h4-6,9,15H,3,7-8,10-12H2,1-2H3,(H,17,19)/t15-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide has a molecular weight of 324.45 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[ethyl-[(3-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 26512857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).