N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C20H22ClN5O3S — CID 50760379

IUPACN-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H22ClN5O3S/c1-13-5-8-17(9-6-13)26(12-19(27)23-18-10-7-16(21)11-22-18)30(28,29)20-14(2)24-25(4)15(20)3/h5-11H,12H2,1-4H3,(H,22,23,27)
InChIKeyQLZIZTBPDIXELF-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.23
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 50760379) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID50760379
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC NameN-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1ccc(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C20H22ClN5O3S/c1-13-5-8-17(9-6-13)26(12-19(27)23-18-10-7-16(21)11-22-18)30(28,29)20-14(2)24-25(4)15(20)3/h5-11H,12H2,1-4H3,(H,22,23,27)
InChIKeyQLZIZTBPDIXELF-UHFFFAOYSA-N
XLogP3.23
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 20858729
N-tert-butyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760200
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
CID 126459099
N-(4-methyl-2-pyridinyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 122175690
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858772
N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760317
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858755
2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 20930102
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 20858722
N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868454
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 50760379) is N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1ccc(N(CC(=O)Nc2ccc(Cl)cn2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is QLZIZTBPDIXELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c1-13-5-8-17(9-6-13)26(12-19(27)23-18-10-7-16(21)11-22-18)30(28,29)20-14(2)24-25(4)15(20)3/h5-11H,12H2,1-4H3,(H,22,23,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 447.95 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 50760379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).