(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide

C16H24N2O3S — CID 95145385

IUPAC(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-12(22(2,20)21)16(19)18-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13/h8-13,17H,3-7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyWWTMIPOUCIHUNI-LBPRGKRZSA-N
MW324.45 g/mol
LogP2.80
Rot. Bonds5

About (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide

(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide (PubChem CID 95145385) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
PubChem CID95145385
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide
SMILESC[C@@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C16H24N2O3S/c1-12(22(2,20)21)16(19)18-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13/h8-13,17H,3-7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyWWTMIPOUCIHUNI-LBPRGKRZSA-N
XLogP2.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454130
4-(cycloheptylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454160
methyl N-[4-(cyclooctylamino)phenyl]carbamate
CID 43730245
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
4-(cyclopentylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454135
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
1-cyclohexyl-3-[4-(cyclohexylamino)phenyl]urea
CID 112980754
N-[4-(cyclooctylamino)phenyl]cyclopropanecarboxamide
CID 29049901
[4-(cyclopentylamino)phenyl]urea
CID 43744886
N-[4-[[4-(cyclopentylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112980678
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylsulfonylpropanamide
CID 94784927

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide (CID 95145385) is (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide is C[C@@H](C(=O)Nc1ccc(NC2CCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide?
The InChIKey is WWTMIPOUCIHUNI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-12(22(2,20)21)16(19)18-15-10-8-14(9-11-15)17-13-6-4-3-5-7-13/h8-13,17H,3-7H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide?
(2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide has a molecular weight of 324.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(cyclohexylamino)phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 95145385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).