1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide

C20H26N2O3S — CID 16890576

IUPAC1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-25-20-10-6-18(7-11-20)16-26(23,24)21-13-12-17-4-8-19(9-5-17)22-14-2-3-15-22/h4-11,21H,2-3,12-16H2,1H3
InChIKeyMMKQPHSLCZGDJN-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.96
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide

1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide (PubChem CID 16890576) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
PubChem CID16890576
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-25-20-10-6-18(7-11-20)16-26(23,24)21-13-12-17-4-8-19(9-5-17)22-14-2-3-15-22/h4-11,21H,2-3,12-16H2,1H3
InChIKeyMMKQPHSLCZGDJN-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]methanesulfonamide
CID 16891059
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]ethanesulfonamide
CID 16890665
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
N-[2-(4-methoxyphenyl)ethyl]piperidine-1-sulfonamide
CID 47148921
2-(4-methoxyphenyl)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]ethanesulfonamide
CID 29344525
4-methoxy-3,5-dimethyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890547
1-(4-methoxyphenyl)piperidine
CID 10130315
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[3-[4-(azepan-1-yl)phenyl]propyl]-3-(4-methoxyphenyl)propanamide
CID 16889766
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 29344635
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16891081

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide (CID 16890576) is 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide is COc1ccc(CS(=O)(=O)NCCc2ccc(N3CCCC3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is MMKQPHSLCZGDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-25-20-10-6-18(7-11-20)16-26(23,24)21-13-12-17-4-8-19(9-5-17)22-14-2-3-15-22/h4-11,21H,2-3,12-16H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide?
1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 16890576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).