2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide

C21H27NO3S — CID 92683988

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCOc1ccc(SCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3S/c1-16(2)25-19-8-6-17(7-9-19)5-4-14-22-21(23)15-26-20-12-10-18(24-3)11-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyUPUDZSGJDSBYFQ-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.32
Rot. Bonds10

About 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (PubChem CID 92683988) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
PubChem CID92683988
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
SMILESCOc1ccc(SCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO3S/c1-16(2)25-19-8-6-17(7-9-19)5-4-14-22-21(23)15-26-20-12-10-18(24-3)11-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
InChIKeyUPUDZSGJDSBYFQ-UHFFFAOYSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 30397462
N-(5-hydroxypentyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 107318867
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
N-[3-(4-chlorophenyl)propyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 99999193
2-phenylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43909294
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
1-[3-(4-methoxyphenyl)propyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100677810
2-amino-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 119299625
4-amino-N-[3-(4-methoxyphenyl)propyl]pentanamide
CID 120560980
2-(4-methoxyphenyl)sulfanyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64518766
N-[2-(4-methoxyphenyl)ethyl]-3-(4-propan-2-yloxyanilino)propanamide
CID 109025818
2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30386499

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide (CID 92683988) is 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is COc1ccc(SCC(=O)NCCCc2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
The InChIKey is UPUDZSGJDSBYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-16(2)25-19-8-6-17(7-9-19)5-4-14-22-21(23)15-26-20-12-10-18(24-3)11-13-20/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.32, 10 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-[3-(4-propan-2-yloxyphenyl)propyl]acetamide is sourced from PubChem (CID 92683988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).