N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide

C31H39N3O7S — CID 118896553

IUPACN-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCCCOc1cc(OCCCOC)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(C)C)c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C31H39N3O7S/c1-7-12-39-23-16-24(40-14-9-13-38-6)18-25(17-23)41-30-20-29-28(33(4)31(35)34(29)5)19-27(30)32-42(36,37)26-11-8-10-22(15-26)21(2)3/h8,10-11,15-21,32H,7,9,12-14H2,1-6H3
InChIKeyPLFYWOFIUXQGFK-UHFFFAOYSA-N
MW597.73 g/mol
LogP5.80
Rot. Bonds14

About N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide

N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide (PubChem CID 118896553) has the molecular formula C31H39N3O7S and a molecular weight of 597.73 g/mol. Its IUPAC name is N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide
PubChem CID118896553
Molecular FormulaC31H39N3O7S
Molecular Weight597.73 g/mol
Exact Mass597.25
IUPAC NameN-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide
SMILESCCCOc1cc(OCCCOC)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(C)C)c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C31H39N3O7S/c1-7-12-39-23-16-24(40-14-9-13-38-6)18-25(17-23)41-30-20-29-28(33(4)31(35)34(29)5)19-27(30)32-42(36,37)26-11-8-10-22(15-26)21(2)3/h8,10-11,15-21,32H,7,9,12-14H2,1-6H3
InChIKeyPLFYWOFIUXQGFK-UHFFFAOYSA-N
XLogP5.80
TPSA110.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.73
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide 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-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 118909793
4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]oxy-5-propoxyphenoxy]butyl-trimethylazanium
CID 118896459
N-[1,3-dimethyl-6-[3-[4-(methylamino)butoxy]-5-propoxyphenoxy]-2-oxobenzimidazol-5-yl]-3,4-dimethoxybenzenesulfonamide
CID 118896837
3-[(E)-6-aminohex-2-enoxy]-N-[1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)benzimidazol-5-yl]benzenesulfonamide
CID 118896595
2-[[3-[[6-(3-butoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]sulfamoyl]benzoyl]amino]acetic acid
CID 156701164
N-[6-[3-cyano-5-(3-methoxypropoxy)phenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 118896643
3-[2-[[2-[4-[3-[6-[(3,4-dimethoxyphenyl)sulfonylamino]-1,3-dimethyl-2-oxobenzimidazol-5-yl]oxy-5-propoxyphenoxy]butyl-methylamino]acetyl]amino]ethoxy]propanoic acid
CID 139425400
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide
CID 50796762
6-[3-[1,3-dimethyl-6-[(1-methylimidazol-4-yl)sulfonylamino]-2-oxobenzimidazol-5-yl]oxy-5-propoxyphenoxy]hexylcarbamic acid
CID 118896551
3-[[6-[3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]methylsulfonyl]benzaldehyde
CID 159894638
N-[1,3-dimethyl-2-oxo-6-(3-phenylmethoxyphenoxy)benzimidazol-5-yl]-3,4-dimethylbenzenesulfonamide
CID 118909781
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 50796897

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide (CID 118896553) is N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide is CCCOc1cc(OCCCOC)cc(Oc2cc3c(cc2NS(=O)(=O)c2cccc(C(C)C)c2)n(C)c(=O)n3C)c1.
What is the InChIKey of N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide?
The InChIKey is PLFYWOFIUXQGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N3O7S/c1-7-12-39-23-16-24(40-14-9-13-38-6)18-25(17-23)41-30-20-29-28(33(4)31(35)34(29)5)19-27(30)32-42(36,37)26-11-8-10-22(15-26)21(2)3/h8,10-11,15-21,32H,7,9,12-14H2,1-6H3.
What are the key properties of N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide?
N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide has a molecular weight of 597.73 g/mol, XLogP of 5.80, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-(3-methoxypropoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 118896553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).