N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide

C20H26N4O3S — CID 75270281

IUPACN-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2C(C)NNC2S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-4-15-7-11-16(12-8-15)21-19(25)18-14(3)22-23-20(18)28(26,27)24-17-9-5-13(2)6-10-17/h5-12,14,18,20,22-24H,4H2,1-3H3,(H,21,25)
InChIKeyTWAAOIQWQANMNR-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.38
Rot. Bonds6

About N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide

N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide (PubChem CID 75270281) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide
PubChem CID75270281
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide
SMILESCCc1ccc(NC(=O)C2C(C)NNC2S(=O)(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H26N4O3S/c1-4-15-7-11-16(12-8-15)21-19(25)18-14(3)22-23-20(18)28(26,27)24-17-9-5-13(2)6-10-17/h5-12,14,18,20,22-24H,4H2,1-3H3,(H,21,25)
InChIKeyTWAAOIQWQANMNR-UHFFFAOYSA-N
XLogP2.38
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate
CID 75270322
3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide
CID 75270307
methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate
CID 73215723
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-(4-ethylphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151854
4-(4-ethylphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-oxobutanamide
CID 55346127
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
N-(4-ethylphenyl)-3-(4-methylanilino)propanamide
CID 109034443
N-(4-ethylphenyl)-N'-[(Z)-[4-(4-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 6322510

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide (CID 75270281) is N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide is CCc1ccc(NC(=O)C2C(C)NNC2S(=O)(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide?
The InChIKey is TWAAOIQWQANMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-4-15-7-11-16(12-8-15)21-19(25)18-14(3)22-23-20(18)28(26,27)24-17-9-5-13(2)6-10-17/h5-12,14,18,20,22-24H,4H2,1-3H3,(H,21,25).
What are the key properties of N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide?
N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.38, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 75270281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).