5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C16H25N3O4S — CID 41198961

IUPAC5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C16H25N3O4S/c1-6-9-17-15(20)12(3)18-16(21)14-10-13(8-7-11(14)2)24(22,23)19(4)5/h7-8,10,12H,6,9H2,1-5H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyPQTIBZSXXOVVSC-LBPRGKRZSA-N
MW355.46 g/mol
LogP0.89
Rot. Bonds7

About 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 41198961) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID41198961
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C
InChIInChI=1S/C16H25N3O4S/c1-6-9-17-15(20)12(3)18-16(21)14-10-13(8-7-11(14)2)24(22,23)19(4)5/h7-8,10,12H,6,9H2,1-5H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyPQTIBZSXXOVVSC-LBPRGKRZSA-N
XLogP0.89
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-5-[(2-methoxyphenyl)-methylsulfamoyl]-2-methylbenzamide
CID 41157051
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8503225
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 41192964
N-[4-[(2R)-butan-2-yl]phenyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 9393889
5-[(4-butylphenyl)sulfamoyl]-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 40795564
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017791
2-[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]-N-propylpropanamide
CID 46820287
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497
N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-methyl-N-pentan-2-yl-5-sulfamoylbenzamide
CID 46522108
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylpentanamide
CID 75981195

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 41198961) is 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C.
What is the InChIKey of 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is PQTIBZSXXOVVSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-6-9-17-15(20)12(3)18-16(21)14-10-13(8-7-11(14)2)24(22,23)19(4)5/h7-8,10,12H,6,9H2,1-5H3,(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 355.46 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 41198961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).