4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide

C17H24N2O4S — CID 43030759

IUPAC4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CNC(C)=O)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O4S/c1-3-9-19(16-8-10-24(22,23)12-16)17(21)15-6-4-14(5-7-15)11-18-13(2)20/h4-7,16H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyWRASNFYHKDPLIW-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.36
Rot. Bonds6

About 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide

4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide (PubChem CID 43030759) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
PubChem CID43030759
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
SMILESCCCN(C(=O)c1ccc(CNC(C)=O)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H24N2O4S/c1-3-9-19(16-8-10-24(22,23)12-16)17(21)15-6-4-14(5-7-15)11-18-13(2)20/h4-7,16H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyWRASNFYHKDPLIW-UHFFFAOYSA-N
XLogP1.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-(trifluoromethylsulfonyl)benzamide
CID 55573266
4-[(4-tert-butylphenoxy)methyl]-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide
CID 112792192
4-chloro-N-[2-[(4-chlorobenzoyl)-(1,1-dioxothiolan-3-yl)amino]ethyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 102566638
N-(1,1-dioxothiolan-3-yl)-N-propyl-4-pyrazol-1-ylbenzamide
CID 78798903
N-butyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 55508032
N'-(1,1-dioxothiolan-3-yl)-N'-ethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945732
N-(1,1-dioxothiolan-3-yl)-N-ethyl-4-(ethylsulfanylmethyl)benzamide
CID 60529187
6-[(1,1-dioxothiolan-3-yl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119179508
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
2-[acetyl-(1,1-dioxothiolan-3-yl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113164980
2-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylbenzamide
CID 41073361

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide (CID 43030759) is 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide is CCCN(C(=O)c1ccc(CNC(C)=O)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide?
The InChIKey is WRASNFYHKDPLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-3-9-19(16-8-10-24(22,23)12-16)17(21)15-6-4-14(5-7-15)11-18-13(2)20/h4-7,16H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide?
4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide has a molecular weight of 352.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(1,1-dioxothiolan-3-yl)-N-propylbenzamide is sourced from PubChem (CID 43030759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).