N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C14H23N3O5S2 — CID 113056192

IUPACN-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C14H23N3O5S2/c1-3-23(19,20)16-9-11-17(12(2)18)10-8-13-4-6-14(7-5-13)24(15,21)22/h4-7,16H,3,8-11H2,1-2H3,(H2,15,21,22)
InChIKeySMFRDGQYQZIZPK-UHFFFAOYSA-N
MW377.49 g/mol
LogP-0.34
Rot. Bonds9

About N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 113056192) has the molecular formula C14H23N3O5S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID113056192
Molecular FormulaC14H23N3O5S2
Molecular Weight377.49 g/mol
Exact Mass377.11
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O
InChIInChI=1S/C14H23N3O5S2/c1-3-23(19,20)16-9-11-17(12(2)18)10-8-13-4-6-14(7-5-13)24(15,21)22/h4-7,16H,3,8-11H2,1-2H3,(H2,15,21,22)
InChIKeySMFRDGQYQZIZPK-UHFFFAOYSA-N
XLogP-0.34
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]ethyl]butanamide
CID 113056171
4-[3-(ethylsulfonylamino)propyl]benzenesulfonamide
CID 54931498
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113056230
2-[acetyl-[2-(4-sulfamoylphenyl)ethyl]amino]-N,N-diethylacetamide
CID 113165281
N-[2-(4-fluorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113055789
N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055795
N-[2-(butylsulfonylamino)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056291
N-[2-(4-chlorophenyl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056288
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113055790
N-[2-(2-phenylethylsulfonylamino)ethyl]-N-propylacetamide
CID 113051944
N-[2-(benzenesulfonamido)ethyl]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113056293
N-butyl-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113052446

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 113056192) is N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is CCS(=O)(=O)NCCN(CCc1ccc(S(N)(=O)=O)cc1)C(C)=O.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is SMFRDGQYQZIZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O5S2/c1-3-23(19,20)16-9-11-17(12(2)18)10-8-13-4-6-14(7-5-13)24(15,21)22/h4-7,16H,3,8-11H2,1-2H3,(H2,15,21,22).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 377.49 g/mol, XLogP of -0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 113056192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).