5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide

C23H25N5O3S — CID 71116598

IUPAC5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(C(C)(C)C)c3c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O3S/c1-23(2,3)28-19-12-15(10-11-18(19)26-22(28)24)16-13-20(21(31-4)25-14-16)32(29,30)27-17-8-6-5-7-9-17/h5-14,27H,1-4H3,(H2,24,26)
InChIKeyTWSRXINXYGVMQH-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.24
Rot. Bonds5

About 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide

5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide (PubChem CID 71116598) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
PubChem CID71116598
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)n(C(C)(C)C)c3c2)cc1S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C23H25N5O3S/c1-23(2,3)28-19-12-15(10-11-18(19)26-22(28)24)16-13-20(21(31-4)25-14-16)32(29,30)27-17-8-6-5-7-9-17/h5-14,27H,1-4H3,(H2,24,26)
InChIKeyTWSRXINXYGVMQH-UHFFFAOYSA-N
XLogP4.24
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide?
The IUPAC name of 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide (CID 71116598) is 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide.
What is the SMILES notation for 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide?
The canonical SMILES for 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide is COc1ncc(-c2ccc3nc(N)n(C(C)(C)C)c3c2)cc1S(=O)(=O)Nc1ccccc1.
What is the InChIKey of 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide?
The InChIKey is TWSRXINXYGVMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-23(2,3)28-19-12-15(10-11-18(19)26-22(28)24)16-13-20(21(31-4)25-14-16)32(29,30)27-17-8-6-5-7-9-17/h5-14,27H,1-4H3,(H2,24,26).
What are the key properties of 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide?
5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide has a molecular weight of 451.55 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-tert-butylbenzimidazol-5-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide is sourced from PubChem (CID 71116598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).