3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide

C22H30N4O5S — CID 73253290

IUPAC3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCC1C(C)NNC1C
InChIInChI=1S/C22H30N4O5S/c1-14-17(15(2)25-24-14)10-12-22(27)23-19-13-16(9-11-21(19)31-4)32(28,29)26-18-7-5-6-8-20(18)30-3/h5-9,11,13-15,17,24-26H,10,12H2,1-4H3,(H,23,27)
InChIKeyXOGCCNDCMDGGKV-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.72
Rot. Bonds9

About 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide

3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide (PubChem CID 73253290) has the molecular formula C22H30N4O5S and a molecular weight of 462.57 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide
PubChem CID73253290
Molecular FormulaC22H30N4O5S
Molecular Weight462.57 g/mol
Exact Mass462.19
IUPAC Name3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCC1C(C)NNC1C
InChIInChI=1S/C22H30N4O5S/c1-14-17(15(2)25-24-14)10-12-22(27)23-19-13-16(9-11-21(19)31-4)32(28,29)26-18-7-5-6-8-20(18)30-3/h5-9,11,13-15,17,24-26H,10,12H2,1-4H3,(H,23,27)
InChIKeyXOGCCNDCMDGGKV-UHFFFAOYSA-N
XLogP2.72
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methoxyphenoxy)propanamide
CID 24635935
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(4-methylphenoxy)propanamide
CID 4963340
N-[2-methoxy-5-[(2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 71903158
N-[5-[[2-(2-chlorophenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 24514729
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 24635858
N-[5-[[2-(4-ethoxyphenoxy)phenyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 17426332
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55629222
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-propylbenzamide
CID 4792730
ethyl 2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]benzoate
CID 26969690
2-[(3-acetamido-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 31324729
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-(methylsulfanylmethyl)benzamide
CID 24635975
4-ethoxy-3-methoxy-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 24635979

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide (CID 73253290) is 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide is COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCC1C(C)NNC1C.
What is the InChIKey of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is XOGCCNDCMDGGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5S/c1-14-17(15(2)25-24-14)10-12-22(27)23-19-13-16(9-11-21(19)31-4)32(28,29)26-18-7-5-6-8-20(18)30-3/h5-9,11,13-15,17,24-26H,10,12H2,1-4H3,(H,23,27).
What are the key properties of 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide?
3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 462.57 g/mol, XLogP of 2.72, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazolidin-4-yl)-N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 73253290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).