N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide

C25H38N2O3S — CID 71583941

IUPACN-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide
SMILESCCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H38N2O3S/c1-5-8-9-10-11-20-27(31(28,29)25-18-16-24(30-4)17-19-25)21-22-12-14-23(15-13-22)26(6-2)7-3/h12-19H,5-11,20-21H2,1-4H3
InChIKeyRADSFIULKQVXHY-UHFFFAOYSA-N
MW446.66 g/mol
LogP5.70
Rot. Bonds14

About N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide

N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide (PubChem CID 71583941) has the molecular formula C25H38N2O3S and a molecular weight of 446.66 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide
PubChem CID71583941
Molecular FormulaC25H38N2O3S
Molecular Weight446.66 g/mol
Exact Mass446.26
IUPAC NameN-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide
SMILESCCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C25H38N2O3S/c1-5-8-9-10-11-20-27(31(28,29)25-18-16-24(30-4)17-19-25)21-22-12-14-23(15-13-22)26(6-2)7-3/h12-19H,5-11,20-21H2,1-4H3
InChIKeyRADSFIULKQVXHY-UHFFFAOYSA-N
XLogP5.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.66
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
Pnu-177864
CID 9887351
CaMKII inhibitor BSA-9
CID 139532554
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
N-(3,4-Dimethoxybenzenesulphonyl)-1,2,3,4-tetrahydroquinoline
CID 667562
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
N-[4-(diethylamino)phenyl]-4-methoxybenzenesulfonamide
CID 841703
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
N-(2-Methoxy-phenyl)-4-methyl-N-oxiranylmethyl-benzenesulfonamide
CID 3133076
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3238534

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide (CID 71583941) is N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide is CCCCCCCN(Cc1ccc(N(CC)CC)cc1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide?
The InChIKey is RADSFIULKQVXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3S/c1-5-8-9-10-11-20-27(31(28,29)25-18-16-24(30-4)17-19-25)21-22-12-14-23(15-13-22)26(6-2)7-3/h12-19H,5-11,20-21H2,1-4H3.
What are the key properties of N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide?
N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide has a molecular weight of 446.66 g/mol, XLogP of 5.70, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methyl]-N-heptyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 71583941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).