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

C14H20N2O5S2 — CID 110600989

IUPACN-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
SMILESCc1ccccc1CS(=O)(=O)NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O5S2/c1-11-4-2-3-5-12(11)9-23(20,21)15-8-14(17)16-13-6-7-22(18,19)10-13/h2-5,13,15H,6-10H2,1H3,(H,16,17)
InChIKeyKGWKWODRHLMXOQ-UHFFFAOYSA-N
MW360.46 g/mol
LogP-0.28
Rot. Bonds6

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

N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide (PubChem CID 110600989) has the molecular formula C14H20N2O5S2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
PubChem CID110600989
Molecular FormulaC14H20N2O5S2
Molecular Weight360.46 g/mol
Exact Mass360.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide
SMILESCc1ccccc1CS(=O)(=O)NCC(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C14H20N2O5S2/c1-11-4-2-3-5-12(11)9-23(20,21)15-8-14(17)16-13-6-7-22(18,19)10-13/h2-5,13,15H,6-10H2,1H3,(H,16,17)
InChIKeyKGWKWODRHLMXOQ-UHFFFAOYSA-N
XLogP-0.28
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110600977
N-(1,1-dioxothiolan-3-yl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 110407095
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
N-(1,1-dioxothiolan-3-yl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 113153702
1-N'-(1,1-dioxothiolan-3-yl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974923
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[2-methyl-1-(2-methylphenyl)propan-2-yl]urea
CID 95316137
N-[(3R)-1,1-dioxothiolan-3-yl]-2-naphthalen-1-ylacetamide
CID 27710322
N-(1,1-dioxothiolan-3-yl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771301
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 110673351
(2R)-N-[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 94934408
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 110407099
2-[(2-methylphenyl)methylsulfonylamino]-N-prop-2-ynylacetamide
CID 56787533

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide (CID 110600989) is N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide is Cc1ccccc1CS(=O)(=O)NCC(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide?
The InChIKey is KGWKWODRHLMXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S2/c1-11-4-2-3-5-12(11)9-23(20,21)15-8-14(17)16-13-6-7-22(18,19)10-13/h2-5,13,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide has a molecular weight of 360.46 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[(2-methylphenyl)methylsulfonylamino]acetamide is sourced from PubChem (CID 110600989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).