N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide

C19H28N2O3S — CID 133229341

IUPACN-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(C)c(N(C(C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C19H28N2O3S/c1-14-10-11-15(2)18(12-14)21(25(4,23)24)16(3)19(22)20-13-17-8-6-5-7-9-17/h8,10-12,16H,5-7,9,13H2,1-4H3,(H,20,22)
InChIKeyAZCXPRYINIDPCL-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.07
Rot. Bonds6

About N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide

N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 133229341) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID133229341
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(C)c(N(C(C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)c1
InChIInChI=1S/C19H28N2O3S/c1-14-10-11-15(2)18(12-14)21(25(4,23)24)16(3)19(22)20-13-17-8-6-5-7-9-17/h8,10-12,16H,5-7,9,13H2,1-4H3,(H,20,22)
InChIKeyAZCXPRYINIDPCL-UHFFFAOYSA-N
XLogP3.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(cyclohexen-1-ylmethyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 133180031
(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 125057209
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2233240
(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 125063438
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2235805
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133166200
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 19061986
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 92764890
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 125063814
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125080119
(2S)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 125080120
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]propanamide
CID 133244713

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide (CID 133229341) is N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(C)c(N(C(C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)c1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is AZCXPRYINIDPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14-10-11-15(2)18(12-14)21(25(4,23)24)16(3)19(22)20-13-17-8-6-5-7-9-17/h8,10-12,16H,5-7,9,13H2,1-4H3,(H,20,22).
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide?
N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 364.51 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 133229341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).