2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C15H25N3O5S2 — CID 113148292

IUPAC2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O5S2/c1-3-4-11-18(24(2,20)21)12-15(19)17-10-9-13-5-7-14(8-6-13)25(16,22)23/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H2,16,22,23)
InChIKeySDPDKPCSCYXROG-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.05
Rot. Bonds10

About 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 113148292) has the molecular formula C15H25N3O5S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID113148292
Molecular FormulaC15H25N3O5S2
Molecular Weight391.52 g/mol
Exact Mass391.12
IUPAC Name2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O
InChIInChI=1S/C15H25N3O5S2/c1-3-4-11-18(24(2,20)21)12-15(19)17-10-9-13-5-7-14(8-6-13)25(16,22)23/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H2,16,22,23)
InChIKeySDPDKPCSCYXROG-UHFFFAOYSA-N
XLogP0.05
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002541
N-cyclopropyl-2-[methylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]acetamide
CID 113152507
2-(2-methyl-N-methylsulfonylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18277882
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151847
1-N-butyl-1-N-methyl-2-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138562
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-(N-ethyl-2,4-dimethylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 55864568
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
3-[butyl(methyl)amino]-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 108795325
1-ethyl-2-pentyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 111129152

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 113148292) is 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CCCCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)S(C)(=O)=O.
What is the InChIKey of 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is SDPDKPCSCYXROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2/c1-3-4-11-18(24(2,20)21)12-15(19)17-10-9-13-5-7-14(8-6-13)25(16,22)23/h5-8H,3-4,9-12H2,1-2H3,(H,17,19)(H2,16,22,23).
What are the key properties of 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 0.05, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methylsulfonyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 113148292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).