2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide

C22H30N4O5S2 — CID 24614734

IUPAC2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N(c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H30N4O5S2/c1-4-23-20-11-10-19(33(30,31)25(2)3)14-21(20)24-15-22(27)26(17-8-6-5-7-9-17)18-12-13-32(28,29)16-18/h5-11,14,18,23-24H,4,12-13,15-16H2,1-3H3
InChIKeyHRIUOZMYNONZAV-UHFFFAOYSA-N
MW494.64 g/mol
LogP2.00
Rot. Bonds9

About 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide (PubChem CID 24614734) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
PubChem CID24614734
Molecular FormulaC22H30N4O5S2
Molecular Weight494.64 g/mol
Exact Mass494.17
IUPAC Name2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
SMILESCCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N(c1ccccc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C22H30N4O5S2/c1-4-23-20-11-10-19(33(30,31)25(2)3)14-21(20)24-15-22(27)26(17-8-6-5-7-9-17)18-12-13-32(28,29)16-18/h5-11,14,18,23-24H,4,12-13,15-16H2,1-3H3
InChIKeyHRIUOZMYNONZAV-UHFFFAOYSA-N
XLogP2.00
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 43019205
2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 24614670
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-phenylacetamide
CID 24614716
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-nitroanilino)-N-phenylacetamide
CID 45354865
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 47018357
2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 25355616
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-methylcyclohexyl)acetamide
CID 51160031
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(4-phenoxyphenyl)acetamide
CID 4884363
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 9106574
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972737
2-(2,4-dimethylphenyl)sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7458563

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
The IUPAC name of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide (CID 24614734) is 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide is CCNc1ccc(S(=O)(=O)N(C)C)cc1NCC(=O)N(c1ccccc1)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
The InChIKey is HRIUOZMYNONZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-4-23-20-11-10-19(33(30,31)25(2)3)14-21(20)24-15-22(27)26(17-8-6-5-7-9-17)18-12-13-32(28,29)16-18/h5-11,14,18,23-24H,4,12-13,15-16H2,1-3H3.
What are the key properties of 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide has a molecular weight of 494.64 g/mol, XLogP of 2.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide is sourced from PubChem (CID 24614734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).