N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide

C22H29N3O4S — CID 28579384

IUPACN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-16(2)24-30(27,28)19-10-11-21(29-3)20(14-19)23-22(26)18-8-6-17(7-9-18)15-25-12-4-5-13-25/h6-11,14,16,24H,4-5,12-13,15H2,1-3H3,(H,23,26)
InChIKeyJJINEQVEKRIPFU-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.23
Rot. Bonds8

About N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 28579384) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID28579384
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC NameN-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCC2)cc1
InChIInChI=1S/C22H29N3O4S/c1-16(2)24-30(27,28)19-10-11-21(29-3)20(14-19)23-22(26)18-8-6-17(7-9-18)15-25-12-4-5-13-25/h6-11,14,16,24H,4-5,12-13,15H2,1-3H3,(H,23,26)
InChIKeyJJINEQVEKRIPFU-UHFFFAOYSA-N
XLogP3.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 28636465
4-tert-butyl-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 30399035
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 92679944
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 46769837
2-methoxy-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28575609
4-[(2,6-dichlorophenyl)methyl-methylsulfonylamino]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43909499
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92682610
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-4-propan-2-ylbenzamide
CID 26065836
4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 94862615
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-3-phenylmethoxybenzamide
CID 43908166
N-(2,5-dimethoxyphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 1106324

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide (CID 28579384) is N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is JJINEQVEKRIPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16(2)24-30(27,28)19-10-11-21(29-3)20(14-19)23-22(26)18-8-6-17(7-9-18)15-25-12-4-5-13-25/h6-11,14,16,24H,4-5,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide?
N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 28579384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).