N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide

C14H23N3O3S — CID 120505672

IUPACN-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN)c1
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)21(19,20)13-8-6-7-12(9-13)14(18)16-11(3)10-15/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyDHXRMHGOWONKDM-NSHDSACASA-N
MW313.42 g/mol
LogP0.79
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide

N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide (PubChem CID 120505672) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
PubChem CID120505672
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN)c1
InChIInChI=1S/C14H23N3O3S/c1-4-17(5-2)21(19,20)13-8-6-7-12(9-13)14(18)16-11(3)10-15/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyDHXRMHGOWONKDM-NSHDSACASA-N
XLogP0.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylsulfamoyl)-N-(3-methylpentan-2-yl)benzamide
CID 60579922
3-(diethylsulfamoyl)-N-methylbenzamide
CID 47099917
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
3-(diethylsulfamoyl)-N-propylbenzamide
CID 2709423
[1-(dimethylamino)-1-oxopropan-2-yl] (2S)-2-[[3-(diethylsulfamoyl)benzoyl]amino]-3-methylbutanoate
CID 55925997
3-(diethylsulfamoyl)-N-[3-methyl-1-[methyl(4-methylpentan-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 55591194
N-[(2S)-1-[benzyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-3-(diethylsulfamoyl)benzamide
CID 24539961
N-(1-aminopropan-2-yl)-3-iodobenzamide
CID 63733818
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
3-(diethylsulfamoyl)-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120827304
3-(diethylsulfamoyl)-N-[2-(dimethylamino)ethyl]benzamide
CID 2196169
3-[[(3,4-dichlorobenzoyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26654573

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide (CID 120505672) is N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN)c1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide?
The InChIKey is DHXRMHGOWONKDM-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-4-17(5-2)21(19,20)13-8-6-7-12(9-13)14(18)16-11(3)10-15/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide?
N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide has a molecular weight of 313.42 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 120505672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).