N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide

C23H24ClN3O4S — CID 142690673

IUPACN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCc1ccn(CS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1cc(Cl)ccc1CN
InChIInChI=1S/C23H24ClN3O4S/c1-16-9-10-27(15-32(30,31)20-5-3-2-4-6-20)23(29)21(16)12-22(28)26-14-18-11-19(24)8-7-17(18)13-25/h2-11H,12-15,25H2,1H3,(H,26,28)
InChIKeyQFZRCVPQVDVACJ-UHFFFAOYSA-N
MW473.98 g/mol
LogP2.56
Rot. Bonds8

About N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide (PubChem CID 142690673) has the molecular formula C23H24ClN3O4S and a molecular weight of 473.98 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide
PubChem CID142690673
Molecular FormulaC23H24ClN3O4S
Molecular Weight473.98 g/mol
Exact Mass473.12
IUPAC NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide
SMILESCc1ccn(CS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1cc(Cl)ccc1CN
InChIInChI=1S/C23H24ClN3O4S/c1-16-9-10-27(15-32(30,31)20-5-3-2-4-6-20)23(29)21(16)12-22(28)26-14-18-11-19(24)8-7-17(18)13-25/h2-11H,12-15,25H2,1H3,(H,26,28)
InChIKeyQFZRCVPQVDVACJ-UHFFFAOYSA-N
XLogP2.56
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.98
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[[2-[[[2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]-4-chlorophenyl]methyl]carbamate
CID 142690488
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-2-oxo-1-(2-pyrazol-1-ylethyl)-3-pyridinyl]acetamide
CID 142690753
tert-butyl N-[[2-[[[2-[1-[2-(benzenesulfonyl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]-4-chlorophenyl]methyl]carbamate
CID 142690584
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690766
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690349
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetamide
CID 142690741
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-(2-methylsulfonylethyl)-3-oxopyridazin-4-yl]acetamide
CID 142690378
N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690623
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-methyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690658
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazin-4-yl]acetamide
CID 142690318
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(4-chlorophenyl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
CID 142690612
tert-butyl N-[[4-chloro-2-[[[2-[1-[2-(2,4-dimethylpyrrol-1-yl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142690671

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide (CID 142690673) is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide is Cc1ccn(CS(=O)(=O)c2ccccc2)c(=O)c1CC(=O)NCc1cc(Cl)ccc1CN.
What is the InChIKey of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide?
The InChIKey is QFZRCVPQVDVACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O4S/c1-16-9-10-27(15-32(30,31)20-5-3-2-4-6-20)23(29)21(16)12-22(28)26-14-18-11-19(24)8-7-17(18)13-25/h2-11H,12-15,25H2,1H3,(H,26,28).
What are the key properties of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide?
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide has a molecular weight of 473.98 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 142690673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).