2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C26H28N2O4S — CID 43908141

IUPAC2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H28N2O4S/c1-19-10-12-21(13-11-19)25(20-8-4-3-5-9-20)27-26(29)23-18-22(14-15-24(23)32-2)33(30,31)28-16-6-7-17-28/h3-5,8-15,18,25H,6-7,16-17H2,1-2H3,(H,27,29)
InChIKeyVWADMBUGTGSOFT-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.31
Rot. Bonds7

About 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 43908141) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID43908141
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C26H28N2O4S/c1-19-10-12-21(13-11-19)25(20-8-4-3-5-9-20)27-26(29)23-18-22(14-15-24(23)32-2)33(30,31)28-16-6-7-17-28/h3-5,8-15,18,25H,6-7,16-17H2,1-2H3,(H,27,29)
InChIKeyVWADMBUGTGSOFT-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 93486304
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
CID 92672265
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]propanoic acid
CID 119244112
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671765
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671764
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132665450
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 51904194
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133184802
5-(azepan-1-ylsulfonyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzamide
CID 93486725
5-(azepan-1-ylsulfonyl)-2-methoxy-N-(2-methylphenyl)benzamide
CID 7946811
2-methoxy-N-[(2-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590884
2-methoxy-N-(2-phenylsulfanylethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 28590879

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 43908141) is 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)NC(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VWADMBUGTGSOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19-10-12-21(13-11-19)25(20-8-4-3-5-9-20)27-26(29)23-18-22(14-15-24(23)32-2)33(30,31)28-16-6-7-17-28/h3-5,8-15,18,25H,6-7,16-17H2,1-2H3,(H,27,29).
What are the key properties of 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 464.59 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 43908141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).