4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide

C20H24N4O5S — CID 5307698

IUPAC4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H24N4O5S/c1-13(2)9-16(19(25)22-12-14-5-4-8-21-11-14)23-30(27,28)15-6-7-17-18(10-15)29-20(26)24(17)3/h4-8,10-11,13,16,23H,9,12H2,1-3H3,(H,22,25)
InChIKeyDDCQCKZBSJRRSG-UHFFFAOYSA-N
MW432.50 g/mol
LogP1.54
Rot. Bonds8

About 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide

4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 5307698) has the molecular formula C20H24N4O5S and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID5307698
Molecular FormulaC20H24N4O5S
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1
InChIInChI=1S/C20H24N4O5S/c1-13(2)9-16(19(25)22-12-14-5-4-8-21-11-14)23-30(27,28)15-6-7-17-18(10-15)29-20(26)24(17)3/h4-8,10-11,13,16,23H,9,12H2,1-3H3,(H,22,25)
InChIKeyDDCQCKZBSJRRSG-UHFFFAOYSA-N
XLogP1.54
TPSA123.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide (CID 5307698) is 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide is CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is DDCQCKZBSJRRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S/c1-13(2)9-16(19(25)22-12-14-5-4-8-21-11-14)23-30(27,28)15-6-7-17-18(10-15)29-20(26)24(17)3/h4-8,10-11,13,16,23H,9,12H2,1-3H3,(H,22,25).
What are the key properties of 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide?
4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 432.50 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 5307698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).