4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

C22H23N3O3S — CID 984361

IUPAC4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1
InChIInChI=1S/C22H23N3O3S/c1-16-6-7-17(2)21(13-16)29(27,28)25-14-18-8-10-19(11-9-18)22(26)24-15-20-5-3-4-12-23-20/h3-13,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyZMWAVQKPAKLZHX-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.11
Rot. Bonds7

About 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide

4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 984361) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID984361
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1
InChIInChI=1S/C22H23N3O3S/c1-16-6-7-17(2)21(13-16)29(27,28)25-14-18-8-10-19(11-9-18)22(26)24-15-20-5-3-4-12-23-20/h3-13,25H,14-15H2,1-2H3,(H,24,26)
InChIKeyZMWAVQKPAKLZHX-UHFFFAOYSA-N
XLogP3.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-31
CID 984333
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
4-{3-[bis(methylsulfonyl)amino]-2-pyridinyl}-N-(4-tert-butylphenyl)benzamide
CID 22170442
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
(E)-N-[6-[3-[(2-methylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155537916
(E)-N-[6-[3-(phenylsulfamoyl)phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155549611
(E)-N-[6-[3-[(2,5-dimethylphenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155564947
(E)-N-[6-[3-[(4-fluorophenyl)sulfamoyl]phenyl]hexyl]-3-pyridin-3-ylprop-2-enamide
CID 155565565
3-(piperidin-1-ylsulfonyl)-N-(pyridin-3-yl)benzamide
CID 812621
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
N-(2-phenyl-1-{[(3-pyridinylmethyl)amino]carbonyl}vinyl)benzamide
CID 2176997

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide (CID 984361) is 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccccn3)cc2)c1.
What is the InChIKey of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is ZMWAVQKPAKLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-6-7-17(2)21(13-16)29(27,28)25-14-18-8-10-19(11-9-18)22(26)24-15-20-5-3-4-12-23-20/h3-13,25H,14-15H2,1-2H3,(H,24,26).
What are the key properties of 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide?
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 409.51 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 984361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).