N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide

C21H25NO3S — CID 71573643

IUPACN-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESC=CC[C@@H](C=C)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO3S/c1-5-9-18(6-2)16-22(20-10-7-8-11-21(20)25-4)26(23,24)19-14-12-17(3)13-15-19/h5-8,10-15,18H,1-2,9,16H2,3-4H3/t18-/m1/s1
InChIKeyQUTKHPVLSIYVAN-GOSISDBHSA-N
MW371.50 g/mol
LogP4.58
Rot. Bonds9

About N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide

N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 71573643) has the molecular formula C21H25NO3S and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID71573643
Molecular FormulaC21H25NO3S
Molecular Weight371.50 g/mol
Exact Mass371.16
IUPAC NameN-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESC=CC[C@@H](C=C)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C21H25NO3S/c1-5-9-18(6-2)16-22(20-10-7-8-11-21(20)25-4)26(23,24)19-14-12-17(3)13-15-19/h5-8,10-15,18H,1-2,9,16H2,3-4H3/t18-/m1/s1
InChIKeyQUTKHPVLSIYVAN-GOSISDBHSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-3-(4-methyl-N-methylsulfonylanilino)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 16801172
N,N-diethyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 2274312
N-benzyl-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 3428518
N-(6-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)-N,4-dimethylbenzenesulfonamide
CID 12557676
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133185426
N-(2-methoxy-5-methylphenyl)-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1333379
N-[3-(4-bromo-N-methylsulfonylanilino)-2-hydroxypropyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 45127373
[3-[N-(benzenesulfonyl)-2-methoxyanilino]-2-hydroxypropyl]-dimethylazanium
CID 3431498
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 4598465
3-[N-(benzenesulfonyl)-2-methoxyanilino]propanoic acid
CID 50891113
N-(2-methoxyphenyl)-4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 1163324

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide (CID 71573643) is N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide is C=CC[C@@H](C=C)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is QUTKHPVLSIYVAN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25NO3S/c1-5-9-18(6-2)16-22(20-10-7-8-11-21(20)25-4)26(23,24)19-14-12-17(3)13-15-19/h5-8,10-15,18H,1-2,9,16H2,3-4H3/t18-/m1/s1.
What are the key properties of N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide?
N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 371.50 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-ethenylpent-4-enyl]-N-(2-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71573643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).