2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

C16H21ClN2O4S — CID 113162563

IUPAC2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O4S/c1-12(20)19(9-13-5-3-4-6-15(13)17)10-16(21)18(2)14-7-8-24(22,23)11-14/h3-6,14H,7-11H2,1-2H3
InChIKeyGEZKBCPYFNXEOP-UHFFFAOYSA-N
MW372.87 g/mol
LogP1.33
Rot. Bonds5

About 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide

2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (PubChem CID 113162563) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
PubChem CID113162563
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC Name2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
SMILESCC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)Cc1ccccc1Cl
InChIInChI=1S/C16H21ClN2O4S/c1-12(20)19(9-13-5-3-4-6-15(13)17)10-16(21)18(2)14-7-8-24(22,23)11-14/h3-6,14H,7-11H2,1-2H3
InChIKeyGEZKBCPYFNXEOP-UHFFFAOYSA-N
XLogP1.33
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113119455
2-[acetyl(prop-2-enyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113158526
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
3-(N-acetyl-2-ethylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113125203
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 24682203
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
methyl 2-[[2-(2-chlorophenyl)acetyl]-(1,1-dioxothiolan-3-yl)amino]acetate
CID 43839661
3-(N-acetyl-3-chloro-2-methylanilino)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113127560
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 113121253
2-[benzhydryl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 46614350
N-[(2-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenoxy)acetamide
CID 4253001
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The IUPAC name of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide (CID 113162563) is 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The canonical SMILES for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is CC(=O)N(CC(=O)N(C)C1CCS(=O)(=O)C1)Cc1ccccc1Cl.
What is the InChIKey of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
The InChIKey is GEZKBCPYFNXEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-12(20)19(9-13-5-3-4-6-15(13)17)10-16(21)18(2)14-7-8-24(22,23)11-14/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide?
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide has a molecular weight of 372.87 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide is sourced from PubChem (CID 113162563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).