(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide

C17H24N2O3S — CID 167200416

IUPAC(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide
SMILESC=C/C=C(/C)C(=O)N(C)CCNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C17H24N2O3S/c1-5-7-15(3)17(20)19(4)11-10-18-23(21,22)13-16-9-6-8-14(2)12-16/h5-9,12,18H,1,10-11,13H2,2-4H3/b15-7-
InChIKeyAVTOWSJBTYXZHV-CHHVJCJISA-N
MW336.46 g/mol
LogP2.01
Rot. Bonds8

About (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide

(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide (PubChem CID 167200416) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide
PubChem CID167200416
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide
SMILESC=C/C=C(/C)C(=O)N(C)CCNS(=O)(=O)Cc1cccc(C)c1
InChIInChI=1S/C17H24N2O3S/c1-5-7-15(3)17(20)19(4)11-10-18-23(21,22)13-16-9-6-8-14(2)12-16/h5-9,12,18H,1,10-11,13H2,2-4H3/b15-7-
InChIKeyAVTOWSJBTYXZHV-CHHVJCJISA-N
XLogP2.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(diethylamino)ethoxy]ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110425166
N-(4,4-dimethylpentyl)-1-(3-methylphenyl)methanesulfonamide
CID 110421112
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
N-(3-aminobutyl)-1-(3-methylphenyl)methanesulfonamide;hydrochloride
CID 119972396
1-(4-aminophenyl)-N-[2-(3-methylphenyl)ethyl]methanesulfonamide
CID 62314442
N-(4-methoxybutyl)-1-(3-methylphenyl)methanesulfonamide
CID 110418031
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
ethyl N-[(3-methylphenyl)methylsulfonyl]carbamate
CID 175275781
2-[methyl-[2-(3-methylphenyl)ethyl]amino]-2-oxoacetic acid
CID 82127746
N-[2-(dimethylamino)ethyl]-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
CID 106032445
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
N,2-dimethyl-2-(methylamino)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 115165838

Frequently Asked Questions

What is the IUPAC name of (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide?
The IUPAC name of (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide (CID 167200416) is (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide.
What is the SMILES notation for (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide?
The canonical SMILES for (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide is C=C/C=C(/C)C(=O)N(C)CCNS(=O)(=O)Cc1cccc(C)c1.
What is the InChIKey of (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide?
The InChIKey is AVTOWSJBTYXZHV-CHHVJCJISA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-5-7-15(3)17(20)19(4)11-10-18-23(21,22)13-16-9-6-8-14(2)12-16/h5-9,12,18H,1,10-11,13H2,2-4H3/b15-7-.
What are the key properties of (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide?
(2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide has a molecular weight of 336.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,2-dimethyl-N-[2-[(3-methylphenyl)methylsulfonylamino]ethyl]penta-2,4-dienamide is sourced from PubChem (CID 167200416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).