(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide

C17H26N2O3S — CID 98278692

IUPAC(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide
SMILESC/C(=C\C(=O)NCCCN(C)S(C)(=O)=O)CCc1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-15(10-11-16-8-5-4-6-9-16)14-17(20)18-12-7-13-19(2)23(3,21)22/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,18,20)/b15-14+
InChIKeyRNUCVJGPQCBZTK-CCEZHUSRSA-N
MW338.47 g/mol
LogP1.96
Rot. Bonds9

About (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide

(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide (PubChem CID 98278692) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide.

Molecular Properties

Compound Name(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide
PubChem CID98278692
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide
SMILESC/C(=C\C(=O)NCCCN(C)S(C)(=O)=O)CCc1ccccc1
InChIInChI=1S/C17H26N2O3S/c1-15(10-11-16-8-5-4-6-9-16)14-17(20)18-12-7-13-19(2)23(3,21)22/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,18,20)/b15-14+
InChIKeyRNUCVJGPQCBZTK-CCEZHUSRSA-N
XLogP1.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methyl-5-phenyl-N-prop-2-ynylpent-2-enamide
CID 75364637
N-[3-[methyl(methylsulfonyl)amino]propyl]-3,3-diphenylpropanamide
CID 46494113
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]-3-methyl-5-phenylpent-2-enamide
CID 72691195
N-[3-[methyl-[1-(3-phenylpropanoyl)piperidin-4-yl]sulfonylamino]propyl]prop-2-enamide
CID 89237621
(Z)-3-methyl-5-phenyl-N-(pyridin-2-ylmethyl)pent-2-enamide
CID 75462488
N-[3-(dimethylamino)propyl]-3-(2-phenylethylamino)propanamide
CID 109016887
(Z)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-5-phenylpent-2-enamide
CID 95289169
(Z)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-5-phenylpent-2-enamide
CID 86876341
3-(1,3-dioxoisoindol-2-yl)-N-[3-[methyl(methylsulfonyl)amino]propyl]propanamide
CID 46480407
(E)-3-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-phenylpent-2-enamide
CID 75533763
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3-phenylpropanamide
CID 113071298
(Z)-N-(1-hydroxy-3-methylpentan-3-yl)-3-methyl-5-phenylpent-2-enamide
CID 110002498

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide?
The IUPAC name of (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide (CID 98278692) is (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide.
What is the SMILES notation for (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide?
The canonical SMILES for (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide is C/C(=C\C(=O)NCCCN(C)S(C)(=O)=O)CCc1ccccc1.
What is the InChIKey of (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide?
The InChIKey is RNUCVJGPQCBZTK-CCEZHUSRSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15(10-11-16-8-5-4-6-9-16)14-17(20)18-12-7-13-19(2)23(3,21)22/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,18,20)/b15-14+.
What are the key properties of (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide?
(E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide has a molecular weight of 338.47 g/mol, XLogP of 1.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-[3-[methyl(methylsulfonyl)amino]propyl]-5-phenylpent-2-enamide is sourced from PubChem (CID 98278692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).