4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide

C16H20N2O4S — CID 110744264

IUPAC4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11(19)17-13-4-2-12(3-5-13)16(20)18(14-6-7-14)15-8-9-23(21,22)10-15/h2-5,14-15H,6-10H2,1H3,(H,17,19)
InChIKeyOSEYEUJXYUSXRO-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.44
Rot. Bonds4

About 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide

4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 110744264) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID110744264
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESCC(=O)Nc1ccc(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C16H20N2O4S/c1-11(19)17-13-4-2-12(3-5-13)16(20)18(14-6-7-14)15-8-9-23(21,22)10-15/h2-5,14-15H,6-10H2,1H3,(H,17,19)
InChIKeyOSEYEUJXYUSXRO-UHFFFAOYSA-N
XLogP1.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 26009067
[2-[cyclopentyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416033
[2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9416038
N-[4-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]amino]phenyl]acetamide
CID 108989427
1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
2-(4-acetamidophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17480753
2-N,5-N-dicyclopropyl-2-N,5-N-bis(1,1-dioxothiolan-3-yl)thiophene-2,5-dicarboxamide
CID 166208442
2-(4-acetamidophenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 4535557
methyl 4-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]acetyl]amino]benzoate
CID 109001862
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-3,5-difluorobenzamide
CID 42940163
methyl 4-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989838
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-fluorobenzamide
CID 25471531

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide (CID 110744264) is 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide is CC(=O)Nc1ccc(C(=O)N(C2CC2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is OSEYEUJXYUSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(19)17-13-4-2-12(3-5-13)16(20)18(14-6-7-14)15-8-9-23(21,22)10-15/h2-5,14-15H,6-10H2,1H3,(H,17,19).
What are the key properties of 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide?
4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 336.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 110744264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).