N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C16H23N3O5S — CID 41129794

IUPACN-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H23N3O5S/c1-12(20)17-8-9-18-16(21)13-4-6-15(7-5-13)25(22,23)19-11-14-3-2-10-24-14/h4-7,14,19H,2-3,8-11H2,1H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyISHCXCUDKACPQM-AWEZNQCLSA-N
MW369.44 g/mol
LogP0.01
Rot. Bonds8

About N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 41129794) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID41129794
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCC(=O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H23N3O5S/c1-12(20)17-8-9-18-16(21)13-4-6-15(7-5-13)25(22,23)19-11-14-3-2-10-24-14/h4-7,14,19H,2-3,8-11H2,1H3,(H,17,20)(H,18,21)/t14-/m0/s1
InChIKeyISHCXCUDKACPQM-AWEZNQCLSA-N
XLogP0.01
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
n-Propyl-4-sulfamoylbenzamide
CID 226552
N-Ethyl 4-sulfamylbenzamide
CID 10242881
4-Sulfamylbenzamide,N-hexyl
CID 11778627
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
4-Sulfonamide-(1-(4-Aminobutane))Benzamide
CID 1758
4-Sulfamoyl-N-(3-morpholinopropyl)benzamide (I-1)
CID 25060316
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfamoylbenzamide
CID 164609995
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4846716

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 41129794) is N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is CC(=O)NCCNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is ISHCXCUDKACPQM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-12(20)17-8-9-18-16(21)13-4-6-15(7-5-13)25(22,23)19-11-14-3-2-10-24-14/h4-7,14,19H,2-3,8-11H2,1H3,(H,17,20)(H,18,21)/t14-/m0/s1.
What are the key properties of N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 41129794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).