N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C24H30N4O4S — CID 20868454

IUPACN-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C24H30N4O4S/c1-16(2)19-11-13-20(14-12-19)28(33(30,31)24-17(3)26-27(5)18(24)4)15-23(29)25-21-9-7-8-10-22(21)32-6/h7-14,16H,15H2,1-6H3,(H,25,29)
InChIKeyONRCPQDTTAOAGM-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.00
Rot. Bonds8

About N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 20868454) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID20868454
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C24H30N4O4S/c1-16(2)19-11-13-20(14-12-19)28(33(30,31)24-17(3)26-27(5)18(24)4)15-23(29)25-21-9-7-8-10-22(21)32-6/h7-14,16H,15H2,1-6H3,(H,25,29)
InChIKeyONRCPQDTTAOAGM-UHFFFAOYSA-N
XLogP4.00
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 20868454) is N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccccc1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is ONRCPQDTTAOAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-16(2)19-11-13-20(14-12-19)28(33(30,31)24-17(3)26-27(5)18(24)4)15-23(29)25-21-9-7-8-10-22(21)32-6/h7-14,16H,15H2,1-6H3,(H,25,29).
What are the key properties of N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 470.60 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 20868454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).