(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

C19H28N2O3S — CID 125057209

IUPAC(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H28N2O3S/c1-14-10-11-18(12-15(14)2)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)/t16-/m1/s1
InChIKeyDWNVDQCXIRAUQR-MRXNPFEDSA-N
MW364.51 g/mol
LogP3.07
Rot. Bonds6

About (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 125057209) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID125057209
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H28N2O3S/c1-14-10-11-18(12-15(14)2)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)/t16-/m1/s1
InChIKeyDWNVDQCXIRAUQR-MRXNPFEDSA-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
N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 133229341
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2233240
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 126387463
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2235805
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 28636247
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 2973790
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 94015378
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125072446
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126035412
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[2-(2,5-dimethylphenoxy)ethyl]propanamide
CID 133166037

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 125057209) is (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@H](C)C(=O)NCC2=CCCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is DWNVDQCXIRAUQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-14-10-11-18(12-15(14)2)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)/t16-/m1/s1.
What are the key properties of (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-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 (2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 125057209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).