3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide

C22H30N4O4S — CID 75270307

IUPAC3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)C2NNC(C)C2C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-5-30-19-12-10-18(11-13-19)26-31(28,29)22-20(15(4)24-25-22)21(27)23-17-8-6-16(7-9-17)14(2)3/h6-15,20,22,24-26H,5H2,1-4H3,(H,23,27)
InChIKeyPOPMLYWHUVPBRY-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.03
Rot. Bonds8

About 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide

3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide (PubChem CID 75270307) has the molecular formula C22H30N4O4S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide
PubChem CID75270307
Molecular FormulaC22H30N4O4S
Molecular Weight446.57 g/mol
Exact Mass446.20
IUPAC Name3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide
SMILESCCOc1ccc(NS(=O)(=O)C2NNC(C)C2C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H30N4O4S/c1-5-30-19-12-10-18(11-13-19)26-31(28,29)22-20(15(4)24-25-22)21(27)23-17-8-6-16(7-9-17)14(2)3/h6-15,20,22,24-26H,5H2,1-4H3,(H,23,27)
InChIKeyPOPMLYWHUVPBRY-UHFFFAOYSA-N
XLogP3.03
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide
CID 75270281
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 4238815
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
5-[(4-ethoxyphenyl)sulfamoyl]-N-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75196957
N-(4-ethoxyphenyl)-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915615
methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate
CID 75270322
2-(4-ethoxyanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 39452982
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 1333959
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 45373181
1-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9158071
(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide?
The IUPAC name of 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide (CID 75270307) is 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide?
The canonical SMILES for 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide is CCOc1ccc(NS(=O)(=O)C2NNC(C)C2C(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide?
The InChIKey is POPMLYWHUVPBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4S/c1-5-30-19-12-10-18(11-13-19)26-31(28,29)22-20(15(4)24-25-22)21(27)23-17-8-6-16(7-9-17)14(2)3/h6-15,20,22,24-26H,5H2,1-4H3,(H,23,27).
What are the key properties of 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide?
3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 3.03, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 75270307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).