N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide

C16H21N3O5S — CID 97113457

IUPACN-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
SMILESCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccon2)cc1
InChIInChI=1S/C16H21N3O5S/c1-3-14(20)10-17-16(21)12-4-6-15(7-5-12)25(22,23)19(2)11-13-8-9-24-18-13/h4-9,14,20H,3,10-11H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyPZQKEFTZMDMFMN-CQSZACIVSA-N
MW367.43 g/mol
LogP1.00
Rot. Bonds8

About N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide

N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide (PubChem CID 97113457) has the molecular formula C16H21N3O5S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
PubChem CID97113457
Molecular FormulaC16H21N3O5S
Molecular Weight367.43 g/mol
Exact Mass367.12
IUPAC NameN-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide
SMILESCC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccon2)cc1
InChIInChI=1S/C16H21N3O5S/c1-3-14(20)10-17-16(21)12-4-6-15(7-5-12)25(22,23)19(2)11-13-8-9-24-18-13/h4-9,14,20H,3,10-11H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyPZQKEFTZMDMFMN-CQSZACIVSA-N
XLogP1.00
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-(1,2-oxazol-3-ylmethyl)sulfamoyl chloride
CID 165491085
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]benzamide
CID 95986665
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
4-(diethylsulfamoyl)-N-(2-phenylbutyl)benzamide
CID 43016057
4-(dimethylsulfamoyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide
CID 7719508
[(1R)-2-[[4-(diethylsulfamoyl)benzoyl]amino]-1-(furan-2-yl)ethyl]-dimethylazanium
CID 2533073
N-[(2R)-2-hydroxybutyl]-2-methylpyridine-4-carboxamide
CID 130260711
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(2-phenylbutyl)benzamide
CID 46635569
4-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]benzamide
CID 90613417
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide?
The IUPAC name of N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide (CID 97113457) is N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide is CC[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccon2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide?
The InChIKey is PZQKEFTZMDMFMN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3O5S/c1-3-14(20)10-17-16(21)12-4-6-15(7-5-12)25(22,23)19(2)11-13-8-9-24-18-13/h4-9,14,20H,3,10-11H2,1-2H3,(H,17,21)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide?
N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide has a molecular weight of 367.43 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxybutyl]-4-[methyl(1,2-oxazol-3-ylmethyl)sulfamoyl]benzamide is sourced from PubChem (CID 97113457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).