2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide

C16H22N2O4S — CID 113165036

IUPAC2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-11-4-5-14(8-12(11)2)17-16(20)9-18(13(3)19)15-6-7-23(21,22)10-15/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyDAFRKPNDIQNOGU-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.28
Rot. Bonds4

About 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 113165036) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide
PubChem CID113165036
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccc(C)c(C)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H22N2O4S/c1-11-4-5-14(8-12(11)2)17-16(20)9-18(13(3)19)15-6-7-23(21,22)10-15/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyDAFRKPNDIQNOGU-UHFFFAOYSA-N
XLogP1.28
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113165059
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,5-dimethylphenyl)acetamide
CID 113165037
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3-acetylphenyl)acetamide
CID 113165079
2-[acetyl(cyclohexyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 113159503
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-methylphenyl)acetamide
CID 113165028
N-(3,4-dimethylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7115987
1-butyl-3-(3,4-dimethylphenyl)-1-[(3S)-1,1-dioxothiolan-3-yl]thiourea
CID 8682291
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-ethylphenyl)acetamide
CID 113165040
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165063
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113165044
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 9115993

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 113165036) is 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccc(C)c(C)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is DAFRKPNDIQNOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-11-4-5-14(8-12(11)2)17-16(20)9-18(13(3)19)15-6-7-23(21,22)10-15/h4-5,8,15H,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide?
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 338.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 113165036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).