N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

C17H24N2O5S — CID 17463981

IUPACN-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CCCN(C)S(=O)(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C17H24N2O5S/c1-12-17(13(2)24-18-12)25(20,21)19(3)10-6-7-14-8-9-15(22-4)16(11-14)23-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyCISWUFKJQVUZOL-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.56
Rot. Bonds8

About N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide

N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 17463981) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID17463981
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC NameN-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCOc1ccc(CCCN(C)S(=O)(=O)c2c(C)noc2C)cc1OC
InChIInChI=1S/C17H24N2O5S/c1-12-17(13(2)24-18-12)25(20,21)19(3)10-6-7-14-8-9-15(22-4)16(11-14)23-5/h8-9,11H,6-7,10H2,1-5H3
InChIKeyCISWUFKJQVUZOL-UHFFFAOYSA-N
XLogP2.56
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide 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-[3-(3,4-dimethoxyphenyl)propyl]-N,2,5-trimethylbenzenesulfonamide
CID 17393824
N-[(5-fluoro-2-methoxyphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 24608462
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
CID 3245223
N-(1,3-benzodioxol-5-ylmethyl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 43029551
N-[3-(3,4-dimethoxyphenyl)propyl]-N-(trimethylsilylmethyl)benzamide
CID 10620133
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745
N-[(2,4-dimethylphenyl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 46458732
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 31522653
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,3-dimethyl-4-propan-2-yloxybenzenesulfonamide
CID 39631584
N-[(4-bromothiophen-2-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 47318835
2-(3,4-dimethoxyphenyl)ethyl-(3-hydroxypropyl)carbamic acid
CID 69147976
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 17463981) is N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is COc1ccc(CCCN(C)S(=O)(=O)c2c(C)noc2C)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is CISWUFKJQVUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-12-17(13(2)24-18-12)25(20,21)19(3)10-6-7-14-8-9-15(22-4)16(11-14)23-5/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 368.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)propyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 17463981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).