N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

C28H31N7O6S — CID 70081274

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1CCn1nnc(C)n1
InChIInChI=1S/C28H31N7O6S/c1-19-20(2)32-41-28(19)34(18-39-16-15-38-4)42(36,37)26-8-6-5-7-25(26)24-10-9-23(27-29-12-14-40-27)17-22(24)11-13-35-31-21(3)30-33-35/h5-10,12,14,17H,11,13,15-16,18H2,1-4H3
InChIKeyOVZJQJFWUGJNIX-UHFFFAOYSA-N
MW593.67 g/mol
LogP3.97
Rot. Bonds13

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 70081274) has the molecular formula C28H31N7O6S and a molecular weight of 593.67 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID70081274
Molecular FormulaC28H31N7O6S
Molecular Weight593.67 g/mol
Exact Mass593.21
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESCOCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1CCn1nnc(C)n1
InChIInChI=1S/C28H31N7O6S/c1-19-20(2)32-41-28(19)34(18-39-16-15-38-4)42(36,37)26-8-6-5-7-25(26)24-10-9-23(27-29-12-14-40-27)17-22(24)11-13-35-31-21(3)30-33-35/h5-10,12,14,17H,11,13,15-16,18H2,1-4H3
InChIKeyOVZJQJFWUGJNIX-UHFFFAOYSA-N
XLogP3.97
TPSA151.50 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.67
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 70081274) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is COCCOCN(c1onc(C)c1C)S(=O)(=O)c1ccccc1-c1ccc(-c2ncco2)cc1CCn1nnc(C)n1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is OVZJQJFWUGJNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O6S/c1-19-20(2)32-41-28(19)34(18-39-16-15-38-4)42(36,37)26-8-6-5-7-25(26)24-10-9-23(27-29-12-14-40-27)17-22(24)11-13-35-31-21(3)30-33-35/h5-10,12,14,17H,11,13,15-16,18H2,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 593.67 g/mol, XLogP of 3.97, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)-2-[2-[2-(5-methyltetrazol-2-yl)ethyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 70081274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).