N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C25H26N2O4S — CID 20973692

IUPACN-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1
InChIInChI=1S/C25H26N2O4S/c1-31-23-6-4-5-19(17-23)18-26-25(28)22-9-7-20(8-10-22)21-11-13-24(14-12-21)32(29,30)27-15-2-3-16-27/h4-14,17H,2-3,15-16,18H2,1H3,(H,26,28)
InChIKeyIRKCZIRPKFWRNQ-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.08
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 20973692) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID20973692
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1
InChIInChI=1S/C25H26N2O4S/c1-31-23-6-4-5-19(17-23)18-26-25(28)22-9-7-20(8-10-22)21-11-13-24(14-12-21)32(29,30)27-15-2-3-16-27/h4-14,17H,2-3,15-16,18H2,1H3,(H,26,28)
InChIKeyIRKCZIRPKFWRNQ-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
N-[(3-methoxyphenyl)methyl]-5-(4-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 50837187
N-(3-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 46385815
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16867196
N-[(3,5-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46586668
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 20973692) is N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is COc1cccc(CNC(=O)c2ccc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is IRKCZIRPKFWRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-31-23-6-4-5-19(17-23)18-26-25(28)22-9-7-20(8-10-22)21-11-13-24(14-12-21)32(29,30)27-15-2-3-16-27/h4-14,17H,2-3,15-16,18H2,1H3,(H,26,28).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 450.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 20973692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).