N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide

C24H25NO3S — CID 42697318

IUPACN-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-3-28-23-16-14-22(15-17-23)25(29(26,27)24-12-8-5-9-13-24)19-20(2)18-21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3/b20-18+
InChIKeyYMVFZJBDNFPVNN-CZIZESTLSA-N
MW407.54 g/mol
LogP5.38
Rot. Bonds8

About N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide

N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide (PubChem CID 42697318) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
PubChem CID42697318
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC NameN-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-3-28-23-16-14-22(15-17-23)25(29(26,27)24-12-8-5-9-13-24)19-20(2)18-21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3/b20-18+
InChIKeyYMVFZJBDNFPVNN-CZIZESTLSA-N
XLogP5.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N,N-dibenzylacetamide
CID 30169640
2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 798122
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-pentylacetamide
CID 21372135
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 3108667
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(4-ethoxyphenyl)acetamide
CID 126134483
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-chlorophenyl)acetamide
CID 1343150
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-cyclohexylacetamide
CID 1141877
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 171145774
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(3,5-dichlorophenyl)acetamide
CID 30169668
N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697308

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide (CID 42697318) is N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide is CCOc1ccc(N(C/C(C)=C/c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide?
The InChIKey is YMVFZJBDNFPVNN-CZIZESTLSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-3-28-23-16-14-22(15-17-23)25(29(26,27)24-12-8-5-9-13-24)19-20(2)18-21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3/b20-18+.
What are the key properties of N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide?
N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 42697318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).