N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

C22H24ClN3O4S — CID 24662820

IUPACN-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C22H24ClN3O4S/c1-22(2,3)18-8-4-5-9-19(18)25-21(27)15-26(14-16-7-6-12-30-16)31(28,29)17-10-11-20(23)24-13-17/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKeyQSJRRARPGDPLFG-UHFFFAOYSA-N
MW461.97 g/mol
LogP4.46
Rot. Bonds7

About N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (PubChem CID 24662820) has the molecular formula C22H24ClN3O4S and a molecular weight of 461.97 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
PubChem CID24662820
Molecular FormulaC22H24ClN3O4S
Molecular Weight461.97 g/mol
Exact Mass461.12
IUPAC NameN-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESCC(C)(C)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C22H24ClN3O4S/c1-22(2,3)18-8-4-5-9-19(18)25-21(27)15-26(14-16-7-6-12-30-16)31(28,29)17-10-11-20(23)24-13-17/h4-13H,14-15H2,1-3H3,(H,25,27)
InChIKeyQSJRRARPGDPLFG-UHFFFAOYSA-N
XLogP4.46
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.97
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 24662826
N-[(2-chlorophenyl)methyl]-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 24653295
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(4-fluorophenyl)acetamide
CID 24662805
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 24653336
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,5-difluorophenyl)acetamide
CID 24662836
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 24653292
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 25498286
N-(2,3-dimethylphenyl)-2-[(4-ethoxyphenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
CID 29282263
2-[(4-acetylphenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 41154762
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-[benzenesulfonyl(furan-2-ylmethyl)amino]acetyl chloride
CID 50894746

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (CID 24662820) is N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is CC(C)(C)c1ccccc1NC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The InChIKey is QSJRRARPGDPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4S/c1-22(2,3)18-8-4-5-9-19(18)25-21(27)15-26(14-16-7-6-12-30-16)31(28,29)17-10-11-20(23)24-13-17/h4-13H,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide has a molecular weight of 461.97 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 24662820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).