N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

C23H23N5O5S — CID 10277562

IUPACN-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1
InChIInChI=1S/C23H23N5O5S/c1-15-7-10-19(27-34(31,32)14-16-5-3-2-4-6-16)23(30)28(15)13-21(29)25-12-17-8-9-18-20(11-17)33-26-22(18)24/h2-11,27H,12-14H2,1H3,(H2,24,26)(H,25,29)
InChIKeyAZUDHOSZVYJSME-UHFFFAOYSA-N
MW481.53 g/mol
LogP2.14
Rot. Bonds8

About N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide

N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 10277562) has the molecular formula C23H23N5O5S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID10277562
Molecular FormulaC23H23N5O5S
Molecular Weight481.53 g/mol
Exact Mass481.14
IUPAC NameN-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1
InChIInChI=1S/C23H23N5O5S/c1-15-7-10-19(27-34(31,32)14-16-5-3-2-4-6-16)23(30)28(15)13-21(29)25-12-17-8-9-18-20(11-17)33-26-22(18)24/h2-11,27H,12-14H2,1H3,(H2,24,26)(H,25,29)
InChIKeyAZUDHOSZVYJSME-UHFFFAOYSA-N
XLogP2.14
TPSA149.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 10277562) is N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(=O)n1CC(=O)NCc1ccc2c(N)noc2c1.
What is the InChIKey of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is AZUDHOSZVYJSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5S/c1-15-7-10-19(27-34(31,32)14-16-5-3-2-4-6-16)23(30)28(15)13-21(29)25-12-17-8-9-18-20(11-17)33-26-22(18)24/h2-11,27H,12-14H2,1H3,(H2,24,26)(H,25,29).
What are the key properties of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 481.53 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 10277562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).