3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide

C15H19Cl2NO4S — CID 78816353

IUPAC3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)c(OC)c(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19Cl2NO4S/c1-3-5-18(11-4-6-23(20,21)9-11)15(19)10-7-12(16)14(22-2)13(17)8-10/h7-8,11H,3-6,9H2,1-2H3
InChIKeyALVNXHOYMBUDAF-UHFFFAOYSA-N
MW380.29 g/mol
LogP3.04
Rot. Bonds5

About 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide

3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide (PubChem CID 78816353) has the molecular formula C15H19Cl2NO4S and a molecular weight of 380.29 g/mol. Its IUPAC name is 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide
PubChem CID78816353
Molecular FormulaC15H19Cl2NO4S
Molecular Weight380.29 g/mol
Exact Mass379.04
IUPAC Name3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)c(OC)c(Cl)c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H19Cl2NO4S/c1-3-5-18(11-4-6-23(20,21)9-11)15(19)10-7-12(16)14(22-2)13(17)8-10/h7-8,11H,3-6,9H2,1-2H3
InChIKeyALVNXHOYMBUDAF-UHFFFAOYSA-N
XLogP3.04
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-chloro-N-(1,1-dioxothiolan-3-yl)-5-methoxy-4-propoxybenzamide
CID 55377242
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-methylbenzamide
CID 24679446
5,6-dichloro-N-(1,1-dioxothiolan-3-yl)-N-propylpyridine-3-carboxamide
CID 78789197
3,5-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxybenzamide
CID 35180918
3,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 41067864
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methoxyphenyl)methyl]-4-pentoxybenzamide
CID 18848866
3,5-dichloro-N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-ethoxybenzamide
CID 41064861
4-butoxy-3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-ethylphenyl)methyl]benzamide
CID 2954169
4-butoxy-3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)benzamide
CID 18848792
5-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-propylpyridine-3-carboxamide
CID 52892977
3,5-dichloro-N-[[4-(dimethylamino)phenyl]methyl]-N-(1,1-dioxothiolan-3-yl)-4-hexoxybenzamide
CID 18848954
4-butoxy-3,5-dichloro-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 40775792

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide?
The IUPAC name of 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide (CID 78816353) is 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide?
The canonical SMILES for 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide is CCCN(C(=O)c1cc(Cl)c(OC)c(Cl)c1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide?
The InChIKey is ALVNXHOYMBUDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO4S/c1-3-5-18(11-4-6-23(20,21)9-11)15(19)10-7-12(16)14(22-2)13(17)8-10/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide?
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide has a molecular weight of 380.29 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-methoxy-N-propylbenzamide is sourced from PubChem (CID 78816353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).