2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

C27H25N3O3S — CID 1235274

IUPAC2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C27H25N3O3S/c1-21-13-15-24(16-14-21)34(32,33)30(20-22-8-3-2-4-9-22)26-12-6-5-11-25(26)27(31)29-19-23-10-7-17-28-18-23/h2-18H,19-20H2,1H3,(H,29,31)
InChIKeyBKXWCCRYNLRHAC-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.72
Rot. Bonds8

About 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 1235274) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
PubChem CID1235274
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC Name2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C27H25N3O3S/c1-21-13-15-24(16-14-21)34(32,33)30(20-22-8-3-2-4-9-22)26-12-6-5-11-25(26)27(31)29-19-23-10-7-17-28-18-23/h2-18H,19-20H2,1H3,(H,29,31)
InChIKeyBKXWCCRYNLRHAC-UHFFFAOYSA-N
XLogP4.72
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 99939946
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 43907685
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 92675422
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 94862659
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-cyclopentylbenzamide
CID 1108722
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-(4-chlorophenyl)sulfanylethyl]benzamide
CID 124544509
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 125076660
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(3-ethoxyphenyl)methyl]benzamide
CID 99940224
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 99644759
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide (CID 1235274) is 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BKXWCCRYNLRHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-21-13-15-24(16-14-21)34(32,33)30(20-22-8-3-2-4-9-22)26-12-6-5-11-25(26)27(31)29-19-23-10-7-17-28-18-23/h2-18H,19-20H2,1H3,(H,29,31).
What are the key properties of 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide?
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 471.58 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 1235274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).