N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide

C23H28N4O5S — CID 155902228

IUPACN-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H28N4O5S/c1-16-23(17(2)26(4)24-16)33(29,30)27(19-9-13-21(32-6)14-10-19)15-22(28)25(3)18-7-11-20(31-5)12-8-18/h7-14H,15H2,1-6H3
InChIKeySJMIZKWPMXDBHK-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.91
Rot. Bonds8

About N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide

N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide (PubChem CID 155902228) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide
PubChem CID155902228
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC NameN-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C23H28N4O5S/c1-16-23(17(2)26(4)24-16)33(29,30)27(19-9-13-21(32-6)14-10-19)15-22(28)25(3)18-7-11-20(31-5)12-8-18/h7-14H,15H2,1-6H3
InChIKeySJMIZKWPMXDBHK-UHFFFAOYSA-N
XLogP2.91
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858755
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
CID 126459099
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858772
N-[2-(4-methoxyphenoxy)ethyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 55434480
N-tert-butyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760200
N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868454
2-(4-methoxy-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-methyl-N-phenylacetamide
CID 100796962
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381
N-(4-methoxyphenyl)-N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100790286
2-[ethyl-(4-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)-N-methylacetamide
CID 100795870
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 92666354
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 20858722

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide (CID 155902228) is N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide is COc1ccc(N(C)C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide?
The InChIKey is SJMIZKWPMXDBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-16-23(17(2)26(4)24-16)33(29,30)27(19-9-13-21(32-6)14-10-19)15-22(28)25(3)18-7-11-20(31-5)12-8-18/h7-14H,15H2,1-6H3.
What are the key properties of N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide?
N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide has a molecular weight of 472.57 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 155902228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).