N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide

C19H20F2N4O4S — CID 42646968

IUPACN-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)C3CCCC3)c2F)cn1
InChIInChI=1S/C19H20F2N4O4S/c1-11(26)23-16-9-6-12(10-22-16)24-19(27)17-14(20)7-8-15(18(17)21)25-30(28,29)13-4-2-3-5-13/h6-10,13,25H,2-5H2,1H3,(H,24,27)(H,22,23,26)
InChIKeyKCPGKBBISUZARN-UHFFFAOYSA-N
MW438.46 g/mol
LogP3.25
Rot. Bonds6

About N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide

N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide (PubChem CID 42646968) has the molecular formula C19H20F2N4O4S and a molecular weight of 438.46 g/mol. Its IUPAC name is N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
PubChem CID42646968
Molecular FormulaC19H20F2N4O4S
Molecular Weight438.46 g/mol
Exact Mass438.12
IUPAC NameN-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)C3CCCC3)c2F)cn1
InChIInChI=1S/C19H20F2N4O4S/c1-11(26)23-16-9-6-12(10-22-16)24-19(27)17-14(20)7-8-15(18(17)21)25-30(28,29)13-4-2-3-5-13/h6-10,13,25H,2-5H2,1H3,(H,24,27)(H,22,23,26)
InChIKeyKCPGKBBISUZARN-UHFFFAOYSA-N
XLogP3.25
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide?
The IUPAC name of N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide (CID 42646968) is N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide.
What is the SMILES notation for N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide?
The canonical SMILES for N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide is CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(NS(=O)(=O)C3CCCC3)c2F)cn1.
What is the InChIKey of N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide?
The InChIKey is KCPGKBBISUZARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O4S/c1-11(26)23-16-9-6-12(10-22-16)24-19(27)17-14(20)7-8-15(18(17)21)25-30(28,29)13-4-2-3-5-13/h6-10,13,25H,2-5H2,1H3,(H,24,27)(H,22,23,26).
What are the key properties of N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide?
N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide has a molecular weight of 438.46 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-3-pyridinyl)-3-(cyclopentylsulfonylamino)-2,6-difluorobenzamide is sourced from PubChem (CID 42646968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).