N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C17H28N2O4S — CID 78855791

IUPACN-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O4S/c1-5-6-11-19(12-13-20)17(21)15-7-9-16(10-8-15)24(22,23)18(4)14(2)3/h7-10,14,20H,5-6,11-13H2,1-4H3
InChIKeyPCMFFSVBFCRTGJ-UHFFFAOYSA-N
MW356.49 g/mol
LogP1.95
Rot. Bonds9

About N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 78855791) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID78855791
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCCCCN(CCO)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1
InChIInChI=1S/C17H28N2O4S/c1-5-6-11-19(12-13-20)17(21)15-7-9-16(10-8-15)24(22,23)18(4)14(2)3/h7-10,14,20H,5-6,11-13H2,1-4H3
InChIKeyPCMFFSVBFCRTGJ-UHFFFAOYSA-N
XLogP1.95
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 78856047
4-(dimethylsulfamoyl)-N,N-bis(2-hydroxyethyl)benzamide
CID 60655214
4-(dibutylcarbamoyl)benzenesulfonyl chloride
CID 43125989
N-butyl-N-methyl-4-propan-2-ylsulfonylbenzamide
CID 110764877
N-(2-methoxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 134062483
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
2-chloro-N-ethyl-N-(2-hydroxyethyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 78855605
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
N-butyl-4-[butyl(methyl)sulfamoyl]-N-methylbenzamide
CID 109061421
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400
N-[(4-ethylphenyl)methyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 38045291
N-butyl-N-(2-hydroxyethyl)-4-propan-2-ylbenzenesulfonamide
CID 61448379

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 78855791) is N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CCCCN(CCO)C(=O)c1ccc(S(=O)(=O)N(C)C(C)C)cc1.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is PCMFFSVBFCRTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-5-6-11-19(12-13-20)17(21)15-7-9-16(10-8-15)24(22,23)18(4)14(2)3/h7-10,14,20H,5-6,11-13H2,1-4H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 356.49 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 78855791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).