4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

C22H30N2O4S — CID 9048652

IUPAC4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)20-14-10-18(11-15-20)22(25)23-21(16(3)4)17-8-12-19(28-5)13-9-17/h8-16,21H,6-7H2,1-5H3,(H,23,25)/t21-/m0/s1
InChIKeyKKPPUSJTGMRPFU-NRFANRHFSA-N
MW418.56 g/mol
LogP3.85
Rot. Bonds9

About 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide

4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (PubChem CID 9048652) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
PubChem CID9048652
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC Name4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1
InChIInChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)20-14-10-18(11-15-20)22(25)23-21(16(3)4)17-8-12-19(28-5)13-9-17/h8-16,21H,6-7H2,1-5H3,(H,23,25)/t21-/m0/s1
InChIKeyKKPPUSJTGMRPFU-NRFANRHFSA-N
XLogP3.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
4-(dimethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 9048728
5-(diethylsulfamoyl)-2-fluoro-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 55395143
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-(aminomethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide;hydrochloride
CID 119273373
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-iodobenzamide
CID 55339070
4-(diethylsulfamoyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]benzamide
CID 90549009
N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]-4-(2H-tetrazol-5-yl)benzamide
CID 31354794
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
(E)-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9246720
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide (CID 9048652) is 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
The InChIKey is KKPPUSJTGMRPFU-NRFANRHFSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-6-24(7-2)29(26,27)20-14-10-18(11-15-20)22(25)23-21(16(3)4)17-8-12-19(28-5)13-9-17/h8-16,21H,6-7H2,1-5H3,(H,23,25)/t21-/m0/s1.
What are the key properties of 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide?
4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide has a molecular weight of 418.56 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 9048652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).