N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide

C22H30N4O5S2 — CID 24818244

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
InChIKeyCMBONPJLQVAPQD-UHFFFAOYSA-N
MW494.64 g/mol
LogP2.55
Rot. Bonds10

About N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide

N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 24818244) has the molecular formula C22H30N4O5S2 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID24818244
Molecular FormulaC22H30N4O5S2
Molecular Weight494.64 g/mol
Exact Mass494.17
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27)
InChIKeyCMBONPJLQVAPQD-UHFFFAOYSA-N
XLogP2.55
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
1-[3-[2-[2-cyano-(S)-pyrrolidin-1-yl]-2-oxoethylamino]-1-oxo-propyl]-4-[4-[1-oxoethylamino]phenylsulfonyl]piperazine
CID 11705859
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1241259
N-(2,4-difluorophenyl)-2-[(phenylsulfonyl)amino]acetamide
CID 900314
2-(3-Methyl-piperidin-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3178246
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 4966311
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-[4-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 669166
{(2-{Carboxymethyl-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-ethyl)-[(4-sulfamoyl-phenylcarbamoyl)-methyl]-amino}-acetic acid
CID 3441996
2-Amino-N-(3-sulfamoyl-phenyl)-acetamide
CID 10704587
2-Methylamino-N-(4-sulfamoyl-phenyl)-acetamide
CID 10847812

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 24818244) is N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is CMBONPJLQVAPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S2/c1-3-25(4-2)32(28,29)21-12-8-10-19(16-21)24-22(27)17-23-18-9-7-11-20(15-18)33(30,31)26-13-5-6-14-26/h7-12,15-16,23H,3-6,13-14,17H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 494.64 g/mol, XLogP of 2.55, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 24818244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).