2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

C21H26N2O2S — CID 56555956

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(N3CCC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-15-12-13-23(14-15)18-6-4-17(5-7-18)22-21(24)16(2)26-20-10-8-19(25-3)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,22,24)
InChIKeyJFHUFOMJZLFFGC-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.66
Rot. Bonds6

About 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide

2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (PubChem CID 56555956) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
PubChem CID56555956
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(N3CCC(C)C3)cc2)cc1
InChIInChI=1S/C21H26N2O2S/c1-15-12-13-23(14-15)18-6-4-17(5-7-18)22-21(24)16(2)26-20-10-8-19(25-3)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,22,24)
InChIKeyJFHUFOMJZLFFGC-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-propan-2-ylsulfanylbenzamide
CID 56555924
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
N-(4-aminophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43100763
2-(4-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559401
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(4-methoxyphenyl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 92676279
(2R)-N-[4-(1-adamantyl)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 92677788
2-(3-methylphenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56559429
2-(4-ethoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]acetamide
CID 56556168
2-(3-chlorophenoxy)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56555945
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
N-[4-[1-(4-methoxyanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,3-dimethylbutanamide
CID 19631000

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide (CID 56555956) is 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is COc1ccc(SC(C)C(=O)Nc2ccc(N3CCC(C)C3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is JFHUFOMJZLFFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-12-13-23(14-15)18-6-4-17(5-7-18)22-21(24)16(2)26-20-10-8-19(25-3)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,22,24).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide?
2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 370.52 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 56555956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).