N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide

C14H19N3O4S — CID 108989427

IUPACN-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19N3O4S/c1-10(18)15-11-3-5-12(6-4-11)16-14(19)17(2)13-7-8-22(20,21)9-13/h3-6,13H,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZTSRXSYOUSIRLW-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.30
Rot. Bonds3

About N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide

N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide (PubChem CID 108989427) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide
PubChem CID108989427
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)N(C)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C14H19N3O4S/c1-10(18)15-11-3-5-12(6-4-11)16-14(19)17(2)13-7-8-22(20,21)9-13/h3-6,13H,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyZTSRXSYOUSIRLW-UHFFFAOYSA-N
XLogP1.30
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 26009067
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
CID 110744264
N-(3-acetamidophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-methyloxamide
CID 108526481
3-[3-(aminomethyl)phenyl]-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 43649035
5-acetamido-N-(1,1-dioxothiolan-3-yl)-2-methoxy-N-methylbenzamide
CID 110764490
3-(2,4-difluorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 47108063
3-(2,4-dichlorophenyl)-1-(1,1-dioxothiolan-3-yl)-1-methylurea
CID 108989449
N-(1,1-dioxothiolan-3-yl)-N,2,2-trimethyl-N'-(4-methylphenyl)propanediamide
CID 108964735
1-N-(4-acetylphenyl)-1-N'-(1,1-dioxothiolan-3-yl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978091
N-[4-(dimethylamino)phenyl]-N'-(1,1-dioxothiolan-3-yl)-N',2,2-trimethylpropanediamide
CID 108964784
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149268

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide (CID 108989427) is N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(NC(=O)N(C)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide?
The InChIKey is ZTSRXSYOUSIRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-10(18)15-11-3-5-12(6-4-11)16-14(19)17(2)13-7-8-22(20,21)9-13/h3-6,13H,7-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide?
N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide has a molecular weight of 325.39 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide is sourced from PubChem (CID 108989427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).