N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

C15H23N3O4S — CID 120508941

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESC[C@@H](CN)NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H23N3O4S/c1-11(9-16)18-15(19)12-4-6-14(7-5-12)23(20,21)17-10-13-3-2-8-22-13/h4-7,11,13,17H,2-3,8-10,16H2,1H3,(H,18,19)/t11-,13?/m0/s1
InChIKeyDCQZMQULHUQYGF-AMGKYWFPSA-N
MW341.43 g/mol
LogP0.22
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide

N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 120508941) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID120508941
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESC[C@@H](CN)NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
InChIInChI=1S/C15H23N3O4S/c1-11(9-16)18-15(19)12-4-6-14(7-5-12)23(20,21)17-10-13-3-2-8-22-13/h4-7,11,13,17H,2-3,8-10,16H2,1H3,(H,18,19)/t11-,13?/m0/s1
InChIKeyDCQZMQULHUQYGF-AMGKYWFPSA-N
XLogP0.22
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 119597958
propan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 43056423
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119565502
3-oxobutan-2-yl 4-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42988391
4-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 836688
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55408917
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 120508941) is N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is C[C@@H](CN)NC(=O)c1ccc(S(=O)(=O)NCC2CCCO2)cc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is DCQZMQULHUQYGF-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11(9-16)18-15(19)12-4-6-14(7-5-12)23(20,21)17-10-13-3-2-8-22-13/h4-7,11,13,17H,2-3,8-10,16H2,1H3,(H,18,19)/t11-,13?/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 341.43 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 120508941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).