N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide

C18H21NO4S — CID 27548428

IUPACN-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-23-17-9-5-14(6-10-17)11-12-19-18(20)16-7-3-15(4-8-16)13-24(2,21)22/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyBPRVHCXJQBOTHO-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.21
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide

N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 27548428) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID27548428
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-23-17-9-5-14(6-10-17)11-12-19-18(20)16-7-3-15(4-8-16)13-24(2,21)22/h3-10H,11-13H2,1-2H3,(H,19,20)
InChIKeyBPRVHCXJQBOTHO-UHFFFAOYSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-[2-(4-ethylsulfonylphenyl)ethyl]-4-methoxybenzamide
CID 110790705
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-methylsulfonylbenzamide
CID 18082399
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62072605
4-(methylsulfonylmethyl)-N-(2-naphthalen-1-ylethyl)benzamide
CID 46442591
3-amino-4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 61092321
1-N-[2-(4-fluorophenyl)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109048012

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide (CID 27548428) is N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is COc1ccc(CCNC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is BPRVHCXJQBOTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-23-17-9-5-14(6-10-17)11-12-19-18(20)16-7-3-15(4-8-16)13-24(2,21)22/h3-10H,11-13H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide?
N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 27548428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).