4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

C21H28N2O4S — CID 9296974

IUPAC4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)COC)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-20(17-8-6-15(2)7-9-17)22-21(24)18-10-12-19(13-11-18)28(25,26)23-16(3)14-27-4/h6-13,16,20,23H,5,14H2,1-4H3,(H,22,24)/t16-,20-/m0/s1
InChIKeyROVUPDZLOZSGDG-JXFKEZNVSA-N
MW404.53 g/mol
LogP3.19
Rot. Bonds9

About 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide (PubChem CID 9296974) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
PubChem CID9296974
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide
SMILESCC[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)COC)cc1)c1ccc(C)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-20(17-8-6-15(2)7-9-17)22-21(24)18-10-12-19(13-11-18)28(25,26)23-16(3)14-27-4/h6-13,16,20,23H,5,14H2,1-4H3,(H,22,24)/t16-,20-/m0/s1
InChIKeyROVUPDZLOZSGDG-JXFKEZNVSA-N
XLogP3.19
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
N-[1-(4-methylphenyl)propyl]-4-sulfamoylbenzamide
CID 24636412
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 41170336
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9224721
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
3-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 93486433
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9367554

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The IUPAC name of 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide (CID 9296974) is 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide.
What is the SMILES notation for 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The canonical SMILES for 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide is CC[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)COC)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
The InChIKey is ROVUPDZLOZSGDG-JXFKEZNVSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-20(17-8-6-15(2)7-9-17)22-21(24)18-10-12-19(13-11-18)28(25,26)23-16(3)14-27-4/h6-13,16,20,23H,5,14H2,1-4H3,(H,22,24)/t16-,20-/m0/s1.
What are the key properties of 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide?
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide has a molecular weight of 404.53 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(1S)-1-(4-methylphenyl)propyl]benzamide is sourced from PubChem (CID 9296974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).