3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide

C21H27N3O4S — CID 8624124

IUPAC3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
SMILESCC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-19(16-11-9-15(2)10-12-16)23-20(25)14-22-21(26)17-7-6-8-18(13-17)29(27,28)24(3)4/h6-13,19H,5,14H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyJRAYUIYPXRZFLH-IBGZPJMESA-N
MW417.53 g/mol
LogP2.24
Rot. Bonds8

About 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide

3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide (PubChem CID 8624124) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
PubChem CID8624124
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide
SMILESCC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H27N3O4S/c1-5-19(16-11-9-15(2)10-12-16)23-20(25)14-22-21(26)17-7-6-8-18(13-17)29(27,28)24(3)4/h6-13,19H,5,14H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1
InChIKeyJRAYUIYPXRZFLH-IBGZPJMESA-N
XLogP2.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylsulfamoyl)-N-[(1R)-1-phenylpropyl]benzamide
CID 100625308
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
N-[2-[1-(4-bromophenyl)ethylamino]-2-oxoethyl]-3-(dimethylsulfamoyl)benzamide
CID 24544650
3-[(4-fluorophenyl)-methylsulfamoyl]-N-[1-(4-methylphenyl)propyl]benzamide
CID 132672050
N-[3-(dimethylsulfamoyl)phenyl]-2-[[(1R)-1-(4-methylphenyl)propyl]amino]acetamide
CID 9264035
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-3-(dimethylsulfamoyl)benzamide
CID 100626865
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetate
CID 2456562
3-(dimethylsulfamoyl)-N-[2-(4-ethylanilino)-2-oxoethyl]benzamide
CID 8623572
3-(dimethylsulfamoyl)-N-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]benzamide
CID 8624154
3-(dimethylsulfamoyl)-N-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 18114783
[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 9271718
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide (CID 8624124) is 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide is CC[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C)cc1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide?
The InChIKey is JRAYUIYPXRZFLH-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-5-19(16-11-9-15(2)10-12-16)23-20(25)14-22-21(26)17-7-6-8-18(13-17)29(27,28)24(3)4/h6-13,19H,5,14H2,1-4H3,(H,22,26)(H,23,25)/t19-/m0/s1.
What are the key properties of 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide?
3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 8624124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).