2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

C16H24N2O5S2 — CID 4835550

IUPAC2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O5S2/c1-4-18(10-16(19)17-14-7-8-24(20,21)11-14)25(22,23)15-6-5-12(2)13(3)9-15/h5-6,9,14H,4,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeySAPPQZUBZSQFCJ-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.62
Rot. Bonds6

About 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide

2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 4835550) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID4835550
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC Name2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
SMILESCCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C16H24N2O5S2/c1-4-18(10-16(19)17-14-7-8-24(20,21)11-14)25(22,23)15-6-5-12(2)13(3)9-15/h5-6,9,14H,4,7-8,10-11H2,1-3H3,(H,17,19)
InChIKeySAPPQZUBZSQFCJ-UHFFFAOYSA-N
XLogP0.62
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N~2~-ethyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 974010
2-[(3-acetylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4832593
N-(1,1-dioxothiolan-3-yl)-2-[prop-2-enyl-[2-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 5008392
2-(3,4-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 5037561
N-[(2S)-1-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-4-(methylsulfanyl)-1-oxobutan-2-yl]-1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxamide
CID 9550210
N1-cyclopropyl-N2-((1-tosylpyrrolidin-2-yl)methyl)oxalamide
CID 18574840
N-(cyclohexylmethyl)-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2530004
N-ethyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 4882836
N-cyclohexyl-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 4555096
4-(methylsulfanyl)-2-(2-phenylethenesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 6236347
2-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]acetamide
CID 16330681
N'-cyclopentyl-N-{[1-(4-methylbenzenesulfonyl)pyrrolidin-2-yl]methyl}ethanediamide
CID 16829856

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide (CID 4835550) is 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is SAPPQZUBZSQFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-4-18(10-16(19)17-14-7-8-24(20,21)11-14)25(22,23)15-6-5-12(2)13(3)9-15/h5-6,9,14H,4,7-8,10-11H2,1-3H3,(H,17,19).
What are the key properties of 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide?
2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylphenyl)sulfonyl-ethylamino]-N-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 4835550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).