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

C16H23N3O5S — CID 9224830

IUPACN-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H23N3O5S/c1-2-17-15(20)11-18-16(21)12-5-7-14(8-6-12)25(22,23)19-10-13-4-3-9-24-13/h5-8,13,19H,2-4,9-11H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyDKEQOWZWEQQFIK-ZDUSSCGKSA-N
MW369.44 g/mol
LogP0.01
Rot. Bonds8

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

N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 9224830) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID9224830
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESCCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C16H23N3O5S/c1-2-17-15(20)11-18-16(21)12-5-7-14(8-6-12)25(22,23)19-10-13-4-3-9-24-13/h5-8,13,19H,2-4,9-11H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1
InChIKeyDKEQOWZWEQQFIK-ZDUSSCGKSA-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

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Related Compounds

N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-hexyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51339257
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 40861903
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43003903
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 9224830) is N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is CCNC(=O)CNC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is DKEQOWZWEQQFIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-2-17-15(20)11-18-16(21)12-5-7-14(8-6-12)25(22,23)19-10-13-4-3-9-24-13/h5-8,13,19H,2-4,9-11H2,1H3,(H,17,20)(H,18,21)/t13-/m0/s1.
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-[2-(ethylamino)-2-oxoethyl]-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-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 9224830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).