N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide

C24H37N5O4S — CID 11511525

IUPACN-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide
SMILESCCC(=O)NC1CN(S(=O)(=O)N(C)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)C1
InChIInChI=1S/C24H37N5O4S/c1-6-22(30)25-18-15-28(16-18)34(31,32)27(5)19-7-8-21-20(13-19)26-23(24(2,3)4)29(21)14-17-9-11-33-12-10-17/h7-8,13,17-18H,6,9-12,14-16H2,1-5H3,(H,25,30)
InChIKeyOOHKWYFNCCVKRM-UHFFFAOYSA-N
MW491.66 g/mol
LogP2.65
Rot. Bonds7

About N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide

N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide (PubChem CID 11511525) has the molecular formula C24H37N5O4S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide
PubChem CID11511525
Molecular FormulaC24H37N5O4S
Molecular Weight491.66 g/mol
Exact Mass491.26
IUPAC NameN-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide
SMILESCCC(=O)NC1CN(S(=O)(=O)N(C)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)C1
InChIInChI=1S/C24H37N5O4S/c1-6-22(30)25-18-15-28(16-18)34(31,32)27(5)19-7-8-21-20(13-19)26-23(24(2,3)4)29(21)14-17-9-11-33-12-10-17/h7-8,13,17-18H,6,9-12,14-16H2,1-5H3,(H,25,30)
InChIKeyOOHKWYFNCCVKRM-UHFFFAOYSA-N
XLogP2.65
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide?
The IUPAC name of N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide (CID 11511525) is N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide.
What is the SMILES notation for N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide?
The canonical SMILES for N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide is CCC(=O)NC1CN(S(=O)(=O)N(C)c2ccc3c(c2)nc(C(C)(C)C)n3CC2CCOCC2)C1.
What is the InChIKey of N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide?
The InChIKey is OOHKWYFNCCVKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O4S/c1-6-22(30)25-18-15-28(16-18)34(31,32)27(5)19-7-8-21-20(13-19)26-23(24(2,3)4)29(21)14-17-9-11-33-12-10-17/h7-8,13,17-18H,6,9-12,14-16H2,1-5H3,(H,25,30).
What are the key properties of N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide?
N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide has a molecular weight of 491.66 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-tert-butyl-1-(oxan-4-ylmethyl)benzimidazol-5-yl]-methylsulfamoyl]azetidin-3-yl]propanamide is sourced from PubChem (CID 11511525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).