N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

C25H26N2O4S — CID 28633511

IUPACN-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H26N2O4S/c28-25(22-10-8-21(9-11-22)19-32(29,30)27-16-4-5-17-27)26-23-12-14-24(15-13-23)31-18-20-6-2-1-3-7-20/h1-3,6-15H,4-5,16-19H2,(H,26,28)
InChIKeyNLHJZWPYMWYDJG-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.44
Rot. Bonds8

About N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide

N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (PubChem CID 28633511) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
PubChem CID28633511
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C25H26N2O4S/c28-25(22-10-8-21(9-11-22)19-32(29,30)27-16-4-5-17-27)26-23-12-14-24(15-13-23)31-18-20-6-2-1-3-7-20/h1-3,6-15H,4-5,16-19H2,(H,26,28)
InChIKeyNLHJZWPYMWYDJG-UHFFFAOYSA-N
XLogP4.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
4-[(4-benzylsulfonylpiperazin-1-yl)methyl]-N-phenylbenzamide
CID 38817450
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
4-(piperidin-1-ylsulfonylmethyl)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 43909304
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
N-(3-propan-2-yloxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 30393222
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321
N-(3-acetamidophenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 46763734
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982
N-(4-ethylphenyl)-4-(phenoxymethyl)benzamide
CID 2195613

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide (CID 28633511) is N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is NLHJZWPYMWYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c28-25(22-10-8-21(9-11-22)19-32(29,30)27-16-4-5-17-27)26-23-12-14-24(15-13-23)31-18-20-6-2-1-3-7-20/h1-3,6-15H,4-5,16-19H2,(H,26,28).
What are the key properties of N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide?
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 28633511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).