N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide

C14H17N3O5S2 — CID 113152434

IUPACN-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O5S2/c1-23(19,20)17(12-6-7-24(21,22)10-12)9-14(18)16-13-5-3-2-4-11(13)8-15/h2-5,12H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyBYVGXVWCTAIMOF-UHFFFAOYSA-N
MW371.44 g/mol
LogP-0.05
Rot. Bonds5

About N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide

N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide (PubChem CID 113152434) has the molecular formula C14H17N3O5S2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
PubChem CID113152434
Molecular FormulaC14H17N3O5S2
Molecular Weight371.44 g/mol
Exact Mass371.06
IUPAC NameN-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H17N3O5S2/c1-23(19,20)17(12-6-7-24(21,22)10-12)9-14(18)16-13-5-3-2-4-11(13)8-15/h2-5,12H,6-7,9-10H2,1H3,(H,16,18)
InChIKeyBYVGXVWCTAIMOF-UHFFFAOYSA-N
XLogP-0.05
TPSA124.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113152403
2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-(4-methylphenyl)acetamide
CID 113152393
N-(2-cyanophenyl)-3-[cycloheptyl(methylsulfonyl)amino]propanamide
CID 113141082
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide
CID 113152413
methyl 2-[(2-cyanophenyl)sulfonyl-[(3R)-1,1-dioxothiolan-3-yl]amino]acetate
CID 31853686
3-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-phenylpropanamide
CID 113140540
N-(2-cyanophenyl)-2-[cycloheptyl(methyl)amino]acetamide
CID 16577691
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
2-[cyclopropyl(methylsulfonyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 113147949
N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109309344
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]pyrimidine-4-carboxamide
CID 109310104

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide (CID 113152434) is N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccccc1C#N)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
The InChIKey is BYVGXVWCTAIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S2/c1-23(19,20)17(12-6-7-24(21,22)10-12)9-14(18)16-13-5-3-2-4-11(13)8-15/h2-5,12H,6-7,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide?
N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide has a molecular weight of 371.44 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 113152434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).