N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide

C24H33N5O4S — CID 23660487

IUPACN-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)CC)n3CC2CCOCC2)c1
InChIInChI=1S/C24H33N5O4S/c1-5-24(3,4)23-27-20-13-19(7-8-21(20)28(23)15-17-9-11-33-12-10-17)34(31,32)29-16-18(14-26-29)22(30)25-6-2/h7-8,13-14,16-17H,5-6,9-12,15H2,1-4H3,(H,25,30)
InChIKeyZQRNMUGQZRQMOV-UHFFFAOYSA-N
MW487.63 g/mol
LogP3.33
Rot. Bonds8

About N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide

N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide (PubChem CID 23660487) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide
PubChem CID23660487
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)CC)n3CC2CCOCC2)c1
InChIInChI=1S/C24H33N5O4S/c1-5-24(3,4)23-27-20-13-19(7-8-21(20)28(23)15-17-9-11-33-12-10-17)34(31,32)29-16-18(14-26-29)22(30)25-6-2/h7-8,13-14,16-17H,5-6,9-12,15H2,1-4H3,(H,25,30)
InChIKeyZQRNMUGQZRQMOV-UHFFFAOYSA-N
XLogP3.33
TPSA108.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide (CID 23660487) is N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide is CCNC(=O)c1cnn(S(=O)(=O)c2ccc3c(c2)nc(C(C)(C)CC)n3CC2CCOCC2)c1.
What is the InChIKey of N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide?
The InChIKey is ZQRNMUGQZRQMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-5-24(3,4)23-27-20-13-19(7-8-21(20)28(23)15-17-9-11-33-12-10-17)34(31,32)29-16-18(14-26-29)22(30)25-6-2/h7-8,13-14,16-17H,5-6,9-12,15H2,1-4H3,(H,25,30).
What are the key properties of N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide?
N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(2-methylbutan-2-yl)-1-(oxan-4-ylmethyl)benzimidazol-5-yl]sulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 23660487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).