N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide

C16H24N2O4S — CID 95625344

IUPACN-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)c1
InChIInChI=1S/C16H24N2O4S/c1-5-15(19)17-14-9-7-8-13(10-14)16(20)18(4)12(3)11-23(21,22)6-2/h7-10,12H,5-6,11H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKeyKXQQLICJOYALBT-LBPRGKRZSA-N
MW340.45 g/mol
LogP1.93
Rot. Bonds7

About N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide

N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide (PubChem CID 95625344) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
PubChem CID95625344
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)c1
InChIInChI=1S/C16H24N2O4S/c1-5-15(19)17-14-9-7-8-13(10-14)16(20)18(4)12(3)11-23(21,22)6-2/h7-10,12H,5-6,11H2,1-4H3,(H,17,19)/t12-/m0/s1
InChIKeyKXQQLICJOYALBT-LBPRGKRZSA-N
XLogP1.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)propanamide
CID 903063
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
CID 95614599
N-(3-amino-4-methylpentyl)-N-methyl-3-(propanoylamino)benzamide
CID 119659582
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
4-(aminomethyl)-N-(1-ethylsulfonylpropan-2-yl)-N-methylbenzamide
CID 119325198
N-benzyl-N-ethyl-3-(propanoylamino)benzamide
CID 17309573
N-(3-butan-2-ylphenyl)propanamide
CID 139481795
N-(3-acetylphenyl)-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147787
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
N-[3-(propanoylamino)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 38043079

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide?
The IUPAC name of N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide (CID 95625344) is N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)N(C)[C@@H](C)CS(=O)(=O)CC)c1.
What is the InChIKey of N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide?
The InChIKey is KXQQLICJOYALBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-15(19)17-14-9-7-8-13(10-14)16(20)18(4)12(3)11-23(21,22)6-2/h7-10,12H,5-6,11H2,1-4H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide?
N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide has a molecular weight of 340.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methyl-3-(propanoylamino)benzamide is sourced from PubChem (CID 95625344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).