3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide

C24H31N3O5S — CID 41300861

IUPAC3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1
InChIInChI=1S/C24H31N3O5S/c1-3-17(4-2)23(28)27-20-8-5-7-18(15-20)24(29)26-19-10-12-22(13-11-19)33(30,31)25-16-21-9-6-14-32-21/h5,7-8,10-13,15,17,21,25H,3-4,6,9,14,16H2,1-2H3,(H,26,29)(H,27,28)/t21-/m1/s1
InChIKeyUJHUFPUSZVGPRQ-OAQYLSRUSA-N
MW473.60 g/mol
LogP3.77
Rot. Bonds10

About 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide

3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide (PubChem CID 41300861) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
PubChem CID41300861
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1
InChIInChI=1S/C24H31N3O5S/c1-3-17(4-2)23(28)27-20-8-5-7-18(15-20)24(29)26-19-10-12-22(13-11-19)33(30,31)25-16-21-9-6-14-32-21/h5,7-8,10-13,15,17,21,25H,3-4,6,9,14,16H2,1-2H3,(H,26,29)(H,27,28)/t21-/m1/s1
InChIKeyUJHUFPUSZVGPRQ-OAQYLSRUSA-N
XLogP3.77
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
2-[[3-(2-ethylbutanoylamino)benzoyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17321471
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-[3-(difluoromethoxy)phenyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55849060
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063915

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The IUPAC name of 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide (CID 41300861) is 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide.
What is the SMILES notation for 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The canonical SMILES for 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1.
What is the InChIKey of 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
The InChIKey is UJHUFPUSZVGPRQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H31N3O5S/c1-3-17(4-2)23(28)27-20-8-5-7-18(15-20)24(29)26-19-10-12-22(13-11-19)33(30,31)25-16-21-9-6-14-32-21/h5,7-8,10-13,15,17,21,25H,3-4,6,9,14,16H2,1-2H3,(H,26,29)(H,27,28)/t21-/m1/s1.
What are the key properties of 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide?
3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide has a molecular weight of 473.60 g/mol, XLogP of 3.77, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide is sourced from PubChem (CID 41300861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).