N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C25H25N3O4S — CID 127029370

IUPACN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C25H25N3O4S/c1-27-22-15-21(26-33(30,31)20-13-12-17-8-6-7-9-18(17)14-20)24(16-23(22)28(2)25(27)29)32-19-10-4-3-5-11-19/h3-5,10-16,26H,6-9H2,1-2H3
InChIKeyIYDPIUJNHMAJPB-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.35
Rot. Bonds5

About N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 127029370) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID127029370
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21
InChIInChI=1S/C25H25N3O4S/c1-27-22-15-21(26-33(30,31)20-13-12-17-8-6-7-9-18(17)14-20)24(16-23(22)28(2)25(27)29)32-19-10-4-3-5-11-19/h3-5,10-16,26H,6-9H2,1-2H3
InChIKeyIYDPIUJNHMAJPB-UHFFFAOYSA-N
XLogP4.35
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 127029370) is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc4c(c3)CCCC4)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is IYDPIUJNHMAJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-27-22-15-21(26-33(30,31)20-13-12-17-8-6-7-9-18(17)14-20)24(16-23(22)28(2)25(27)29)32-19-10-4-3-5-11-19/h3-5,10-16,26H,6-9H2,1-2H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 463.56 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 127029370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).