3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide

C17H24N2O3S — CID 71878718

IUPAC3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
SMILESCC(C(=O)NC1CCCCC1)S(=O)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H24N2O3S/c1-12(17(21)19-15-8-3-2-4-9-15)23(22)11-13-6-5-7-14(10-13)16(18)20/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyAUXXCWLMFBPKBJ-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.87
Rot. Bonds6

About 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide

3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide (PubChem CID 71878718) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide.

Molecular Properties

Compound Name3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
PubChem CID71878718
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide
SMILESCC(C(=O)NC1CCCCC1)S(=O)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C17H24N2O3S/c1-12(17(21)19-15-8-3-2-4-9-15)23(22)11-13-6-5-7-14(10-13)16(18)20/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyAUXXCWLMFBPKBJ-UHFFFAOYSA-N
XLogP1.87
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(S)-(3-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599447
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]benzamide
CID 103600833
(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599468
3-[[3-(cyclopentylamino)-3-oxopropyl]sulfanylmethyl]benzamide
CID 75369768
(2R)-2-[(R)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599486
(2S)-2-[(S)-(2-chloro-6-fluorophenyl)methylsulfinyl]-N-cyclopentylpropanamide
CID 95599483
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
(2R)-2-[(R)-(5-chlorothiophen-2-yl)methylsulfinyl]-N-cyclohexylpropanamide
CID 95599592
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
CID 94798301
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
3-(2-aminoethyl)-N-cyclohexylbenzamide
CID 62591538
N-(2-amino-1-cyclohexylethyl)-3-(methylsulfinylmethyl)benzamide
CID 119589426

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide?
The IUPAC name of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide (CID 71878718) is 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide.
What is the SMILES notation for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide?
The canonical SMILES for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide is CC(C(=O)NC1CCCCC1)S(=O)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide?
The InChIKey is AUXXCWLMFBPKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12(17(21)19-15-8-3-2-4-9-15)23(22)11-13-6-5-7-14(10-13)16(18)20/h5-7,10,12,15H,2-4,8-9,11H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide?
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide has a molecular weight of 336.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfinylmethyl]benzamide is sourced from PubChem (CID 71878718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).