4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

C14H21N3O4S — CID 41192964

IUPAC4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-5-15-13(18)10(2)16-14(19)11-6-8-12(9-7-11)22(20,21)17(3)4/h6-10H,5H2,1-4H3,(H,15,18)(H,16,19)/t10-/m1/s1
InChIKeyZEABBKXCFRWPSH-SNVBAGLBSA-N
MW327.41 g/mol
LogP0.19
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide

4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 41192964) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID41192964
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-5-15-13(18)10(2)16-14(19)11-6-8-12(9-7-11)22(20,21)17(3)4/h6-10H,5H2,1-4H3,(H,15,18)(H,16,19)/t10-/m1/s1
InChIKeyZEABBKXCFRWPSH-SNVBAGLBSA-N
XLogP0.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-[methoxy(methyl)sulfamoyl]benzamide
CID 51217976
(2S)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]propanoate
CID 9441553
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
4-(dimethylsulfamoyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418837
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
4-(dimethylsulfamoyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 110347447
5-(dimethylsulfamoyl)-2-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41198961
(2R)-2-[[4-(dimethylsulfamoyl)benzoyl]amino]-4-methylpentanoate
CID 9441550
4-(dimethylsulfamoyl)-N-(3-hydroxy-2-methylpropyl)benzamide
CID 65031807
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide (CID 41192964) is 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is CCNC(=O)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is ZEABBKXCFRWPSH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-5-15-13(18)10(2)16-14(19)11-6-8-12(9-7-11)22(20,21)17(3)4/h6-10H,5H2,1-4H3,(H,15,18)(H,16,19)/t10-/m1/s1.
What are the key properties of 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide?
4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 327.41 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 41192964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).