4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C15H20ClN3O4S — CID 51957227

IUPAC4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H20ClN3O4S/c1-19(2)15(21)12-4-3-10(16)7-13(12)17-8-14(20)18-11-5-6-24(22,23)9-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyRMVVGMBORMSDFN-LLVKDONJSA-N
MW373.86 g/mol
LogP0.76
Rot. Bonds5

About 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 51957227) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID51957227
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC Name4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H20ClN3O4S/c1-19(2)15(21)12-4-3-10(16)7-13(12)17-8-14(20)18-11-5-6-24(22,23)9-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyRMVVGMBORMSDFN-LLVKDONJSA-N
XLogP0.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[2-(N-methylanilino)anilino]acetamide
CID 51117326
2-(4-chloro-2,5-dimethoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 109001805
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9196797
2-(2-bromo-4-methylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 52526163
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2-[(4-chlorophenyl)carbamoyl-methylamino]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51961751
4-chloro-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 55898568
N-(5-chloro-2-methoxyphenyl)-2-[[(3S)-1,1-dioxothiolan-3-yl]carbamoylamino]acetamide
CID 51721755
2-(N-acetyl-4-chloroanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113171522
4-chloro-N-(1,1-dioxothiolan-3-yl)-2-hydroxybenzamide
CID 43176547
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(4-methoxy-2-methylanilino)acetamide
CID 95141629

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 51957227) is 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Cl)cc1NCC(=O)N[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is RMVVGMBORMSDFN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c1-19(2)15(21)12-4-3-10(16)7-13(12)17-8-14(20)18-11-5-6-24(22,23)9-11/h3-4,7,11,17H,5-6,8-9H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 373.86 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 51957227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).