2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide

C22H29N3O5S2 — CID 24614670

IUPAC2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C22H29N3O5S2/c1-3-24(4-2)32(29,30)21-12-10-18(11-13-21)23-16-22(26)25(19-8-6-5-7-9-19)20-14-15-31(27,28)17-20/h5-13,20,23H,3-4,14-17H2,1-2H3
InChIKeyICUIBAKLQQMRBP-UHFFFAOYSA-N
MW479.62 g/mol
LogP2.35
Rot. Bonds9

About 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide

2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide (PubChem CID 24614670) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
PubChem CID24614670
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NCC(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C22H29N3O5S2/c1-3-24(4-2)32(29,30)21-12-10-18(11-13-21)23-16-22(26)25(19-8-6-5-7-9-19)20-14-15-31(27,28)17-20/h5-13,20,23H,3-4,14-17H2,1-2H3
InChIKeyICUIBAKLQQMRBP-UHFFFAOYSA-N
XLogP2.35
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 24614734
2-(3-acetylanilino)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 25355616
N-(1,1-dioxothiolan-3-yl)-2-(2-methoxy-5-nitroanilino)-N-phenylacetamide
CID 45354865
4-[[[4-(diethylsulfamoyl)benzoyl]-(1,1-dioxothiolan-3-yl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 44724180
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
N-[4-(diethylsulfamoyl)phenyl]-2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]acetamide
CID 56541246
N-cyclopentyl-2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40804184
2-[4-(dimethylamino)anilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 109001942
N-butyl-3-[4-(diethylsulfamoyl)phenyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55508263
2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide
CID 47018357
N-(1,1-dioxothiolan-3-yl)-2-[2-(2-hydroxyethylamino)-5-nitroanilino]-N-phenylacetamide
CID 24614716
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 43019205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
The IUPAC name of 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide (CID 24614670) is 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide is CCN(CC)S(=O)(=O)c1ccc(NCC(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
The InChIKey is ICUIBAKLQQMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-3-24(4-2)32(29,30)21-12-10-18(11-13-21)23-16-22(26)25(19-8-6-5-7-9-19)20-14-15-31(27,28)17-20/h5-13,20,23H,3-4,14-17H2,1-2H3.
What are the key properties of 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide?
2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide has a molecular weight of 479.62 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylsulfamoyl)anilino]-N-(1,1-dioxothiolan-3-yl)-N-phenylacetamide is sourced from PubChem (CID 24614670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).