N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide

C21H27NO4S — CID 27450983

IUPACN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2cc(C)ccc2C)CCOCC1
InChIInChI=1S/C21H27NO4S/c1-16-8-9-17(2)20(14-16)27(23,24)22-15-21(10-12-26-13-11-21)18-6-4-5-7-19(18)25-3/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyMGRIJDLQYZSUHL-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.34
Rot. Bonds6

About N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide

N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 27450983) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
PubChem CID27450983
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC NameN-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1ccccc1C1(CNS(=O)(=O)c2cc(C)ccc2C)CCOCC1
InChIInChI=1S/C21H27NO4S/c1-16-8-9-17(2)20(14-16)27(23,24)22-15-21(10-12-26-13-11-21)18-6-4-5-7-19(18)25-3/h4-9,14,22H,10-13,15H2,1-3H3
InChIKeyMGRIJDLQYZSUHL-UHFFFAOYSA-N
XLogP3.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide 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

4-methoxy-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3,5-dimethylbenzenesulfonamide
CID 27451012
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]methanesulfonamide
CID 47388317
4-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-3-methylbenzenesulfonamide
CID 27450995
4-amino-2-fluoro-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]benzenesulfonamide
CID 167840472
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 27451515
2,4,5-trimethyl-N-[(4-phenyloxan-4-yl)methyl]benzenesulfonamide
CID 27450272
N-[[4-(5-chloro-2-methoxyphenyl)oxan-4-yl]methyl]-4-methylbenzenesulfonamide
CID 47959613
N'-(2,4-dimethylphenyl)-N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 47697691
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110292799
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 42269408
N-[[4-(2-methoxy-5-methylphenyl)oxan-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 86839334
2-methoxy-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4,5-dimethylbenzenesulfonamide
CID 27450504

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide (CID 27450983) is N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide is COc1ccccc1C1(CNS(=O)(=O)c2cc(C)ccc2C)CCOCC1.
What is the InChIKey of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is MGRIJDLQYZSUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-16-8-9-17(2)20(14-16)27(23,24)22-15-21(10-12-26-13-11-21)18-6-4-5-7-19(18)25-3/h4-9,14,22H,10-13,15H2,1-3H3.
What are the key properties of N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide?
N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 389.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyphenyl)oxan-4-yl]methyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 27450983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).