N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide

C23H29NO4S — CID 91624499

IUPACN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOc1ccc(C2(CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)CCCC2)cc1
InChIInChI=1S/C23H29NO4S/c1-28-20-10-8-19(9-11-20)23(15-3-4-16-23)17-24-22(25)14-7-18-5-12-21(13-6-18)29(2,26)27/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,24,25)
InChIKeyTYKVUXIPDRLPIK-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.66
Rot. Bonds8

About N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide

N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide (PubChem CID 91624499) has the molecular formula C23H29NO4S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide
PubChem CID91624499
Molecular FormulaC23H29NO4S
Molecular Weight415.56 g/mol
Exact Mass415.18
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide
SMILESCOc1ccc(C2(CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)CCCC2)cc1
InChIInChI=1S/C23H29NO4S/c1-28-20-10-8-19(9-11-20)23(15-3-4-16-23)17-24-22(25)14-7-18-5-12-21(13-6-18)29(2,26)27/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,24,25)
InChIKeyTYKVUXIPDRLPIK-UHFFFAOYSA-N
XLogP3.66
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide (CID 91624499) is N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide is COc1ccc(C2(CNC(=O)CCc3ccc(S(C)(=O)=O)cc3)CCCC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide?
The InChIKey is TYKVUXIPDRLPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4S/c1-28-20-10-8-19(9-11-20)23(15-3-4-16-23)17-24-22(25)14-7-18-5-12-21(13-6-18)29(2,26)27/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,24,25).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide?
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide has a molecular weight of 415.56 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-3-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 91624499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).