N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide

C22H24FN5O4S2 — CID 10074892

IUPACN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1
InChIInChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)
InChIKeyJPFOGIQFWWYPMU-UHFFFAOYSA-N
MW505.60 g/mol
LogP1.95
Rot. Bonds7

About N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (PubChem CID 10074892) has the molecular formula C22H24FN5O4S2 and a molecular weight of 505.60 g/mol. Its IUPAC name is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
PubChem CID10074892
Molecular FormulaC22H24FN5O4S2
Molecular Weight505.60 g/mol
Exact Mass505.13
IUPAC NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide
SMILESCc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1
InChIInChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29)
InChIKeyJPFOGIQFWWYPMU-UHFFFAOYSA-N
XLogP1.95
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide (CID 10074892) is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is Cc1ccc(NS(=O)(=O)Cc2ccc(F)cc2)c(=O)n1CC(=O)NC1CCc2nc(N)sc2C1.
What is the InChIKey of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
The InChIKey is JPFOGIQFWWYPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S2/c1-13-2-8-18(27-34(31,32)12-14-3-5-15(23)6-4-14)21(30)28(13)11-20(29)25-16-7-9-17-19(10-16)33-22(24)26-17/h2-6,8,16,27H,7,9-12H2,1H3,(H2,24,26)(H,25,29).
What are the key properties of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide?
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide has a molecular weight of 505.60 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-[(4-fluorophenyl)methylsulfonylamino]-6-methyl-2-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 10074892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).