3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide

C18H26N2O4S — CID 113121662

IUPAC3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O4S/c1-13(2)16-6-4-5-7-17(16)19-18(22)8-10-20(14(3)21)15-9-11-25(23,24)12-15/h4-7,13,15H,8-12H2,1-3H3,(H,19,22)
InChIKeyPEODPARAGGYKKR-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.17
Rot. Bonds6

About 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide

3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 113121662) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID113121662
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O4S/c1-13(2)16-6-4-5-7-17(16)19-18(22)8-10-20(14(3)21)15-9-11-25(23,24)12-15/h4-7,13,15H,8-12H2,1-3H3,(H,19,22)
InChIKeyPEODPARAGGYKKR-UHFFFAOYSA-N
XLogP2.17
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)propanamide
CID 113121646
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-propan-2-ylphenyl)propanediamide
CID 108949220
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-quinolin-8-ylpropanamide
CID 113121709
3-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 109028787
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(4-methoxyphenyl)propanamide
CID 113121684
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109026791
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(2-bromophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 109026818
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
CID 113165040
2-[acetyl(cyclohexyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113159511

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide (CID 113121662) is 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C(C)C)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is PEODPARAGGYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13(2)16-6-4-5-7-17(16)19-18(22)8-10-20(14(3)21)15-9-11-25(23,24)12-15/h4-7,13,15H,8-12H2,1-3H3,(H,19,22).
What are the key properties of 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide?
3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 366.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 113121662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).