(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide

C19H28N2O3S — CID 2233240

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-9-11-18(12-10-15)21(25(3,23)24)16(2)19(22)20-14-13-17-7-5-4-6-8-17/h7,9-12,16H,4-6,8,13-14H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyMMIFAYYKECVNBK-INIZCTEOSA-N
MW364.51 g/mol
LogP3.16
Rot. Bonds7

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 2233240) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID2233240
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C19H28N2O3S/c1-15-9-11-18(12-10-15)21(25(3,23)24)16(2)19(22)20-14-13-17-7-5-4-6-8-17/h7,9-12,16H,4-6,8,13-14H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyMMIFAYYKECVNBK-INIZCTEOSA-N
XLogP3.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.16
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
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 2235805
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 126035412
(2R)-N-(cyclohexen-1-ylmethyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 125057209
N-(cyclohexen-1-ylmethyl)-2-(2,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 133229341
2-(4-ethyl-N-methylsulfonylanilino)-N-[3-(4-methylphenyl)propyl]propanamide
CID 132661818
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-prop-2-enylpropanamide
CID 2217803
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 3637173
(2S)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416716
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-(3-propan-2-yloxypropyl)propanamide
CID 126416717
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100786990

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 2233240) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@@H](C)C(=O)NCCC2=CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is MMIFAYYKECVNBK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-9-11-18(12-10-15)21(25(3,23)24)16(2)19(22)20-14-13-17-7-5-4-6-8-17/h7,9-12,16H,4-6,8,13-14H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 364.51 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2233240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).