4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide

C21H28N2O4S — CID 9162366

IUPAC4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)14-17-6-8-18(9-7-17)16(3)22-21(24)19-10-12-20(13-11-19)28(25,26)23(4)27-5/h6-13,15-16H,14H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKeyIEEXRHDSKCUAIP-MRXNPFEDSA-N
MW404.53 g/mol
LogP3.56
Rot. Bonds8

About 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide

4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide (PubChem CID 9162366) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
PubChem CID9162366
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
SMILESCON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-15(2)14-17-6-8-18(9-7-17)16(3)22-21(24)19-10-12-20(13-11-19)28(25,26)23(4)27-5/h6-13,15-16H,14H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKeyIEEXRHDSKCUAIP-MRXNPFEDSA-N
XLogP3.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 55894651
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 9426583
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46807135
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217976
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
CID 132666915
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743

Frequently Asked Questions

What is the IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide (CID 9162366) is 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide is CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
The InChIKey is IEEXRHDSKCUAIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)14-17-6-8-18(9-7-17)16(3)22-21(24)19-10-12-20(13-11-19)28(25,26)23(4)27-5/h6-13,15-16H,14H2,1-5H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide?
4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 9162366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).