2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide

C22H22ClN3O3S — CID 22305302

IUPAC2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(NCC(=O)NCc2ccncc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C22H22ClN3O3S/c1-15-3-8-20(25-14-21(27)26-13-17-9-11-24-12-10-17)22(16(15)2)30(28,29)19-6-4-18(23)5-7-19/h3-12,25H,13-14H2,1-2H3,(H,26,27)
InChIKeyAJGYOKOHCUXTIQ-UHFFFAOYSA-N
MW443.96 g/mol
LogP3.91
Rot. Bonds7

About 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide

2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 22305302) has the molecular formula C22H22ClN3O3S and a molecular weight of 443.96 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID22305302
Molecular FormulaC22H22ClN3O3S
Molecular Weight443.96 g/mol
Exact Mass443.11
IUPAC Name2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc(NCC(=O)NCc2ccncc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C22H22ClN3O3S/c1-15-3-8-20(25-14-21(27)26-13-17-9-11-24-12-10-17)22(16(15)2)30(28,29)19-6-4-18(23)5-7-19/h3-12,25H,13-14H2,1-2H3,(H,26,27)
InChIKeyAJGYOKOHCUXTIQ-UHFFFAOYSA-N
XLogP3.91
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.96
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-4-ylmethyl)acetamide
CID 108999863
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 1006683
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
2-[3-chloro-2-(4-chlorophenyl)sulfonylanilino]-N-(4-iodo-2-methylphenyl)acetamide
CID 22305203
2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 112993228
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]piperidine-3-carboxamide
CID 41064753
2-[(4-chloro-3-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 112992700
3-(4-bromo-2-methylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023898
2-[2-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 22307389
N'-(3-chloro-2-methylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947833
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide (CID 22305302) is 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc(NCC(=O)NCc2ccncc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1C.
What is the InChIKey of 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is AJGYOKOHCUXTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3S/c1-15-3-8-20(25-14-21(27)26-13-17-9-11-24-12-10-17)22(16(15)2)30(28,29)19-6-4-18(23)5-7-19/h3-12,25H,13-14H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide?
2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 443.96 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 22305302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).