N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide

C24H30N2O3S — CID 4286432

IUPACN-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C24H30N2O3S/c1-19(27)25-23(24(28)26-15-7-2-3-8-16-26)18-30-22-13-11-21(12-14-22)29-17-20-9-5-4-6-10-20/h4-6,9-14,23H,2-3,7-8,15-18H2,1H3,(H,25,27)
InChIKeyZACDQIPRCFAXRM-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.26
Rot. Bonds8

About N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide

N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide (PubChem CID 4286432) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
PubChem CID4286432
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide
SMILESCC(=O)NC(CSc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCCC1
InChIInChI=1S/C24H30N2O3S/c1-19(27)25-23(24(28)26-15-7-2-3-8-16-26)18-30-22-13-11-21(12-14-22)29-17-20-9-5-4-6-10-20/h4-6,9-14,23H,2-3,7-8,15-18H2,1H3,(H,25,27)
InChIKeyZACDQIPRCFAXRM-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide with MolForge

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Related Compounds

N-[1-oxo-3-(4-phenylmethoxyphenyl)sulfanyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3923340
N-[1-oxo-3-(4-phenoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-2-yl]acetamide
CID 3558958
N-[1-morpholin-4-yl-1-oxo-3-(4-phenoxyphenyl)sulfanylpropan-2-yl]acetamide
CID 4240193
2-acetamido-N-heptyl-3-(4-phenylmethoxyphenyl)sulfanylpropanamide
CID 4029386
N-[3-(3-chloro-4-methylphenyl)sulfanyl-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 3349548
2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 3917706
N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]amino]pentan-2-yl]azepane-1-carboxamide
CID 70059494
2-amino-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 70059723
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 45286233
1-[2-acetamido-3-(4-methylphenyl)sulfanylpropanoyl]piperidine-3-carboxamide
CID 3434871
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
2-acetamido-N-cyclopentyl-3-(4-phenoxyphenyl)sulfanylpropanamide
CID 3275959

Frequently Asked Questions

What is the IUPAC name of N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide (CID 4286432) is N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide is CC(=O)NC(CSc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCCCC1.
What is the InChIKey of N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide?
The InChIKey is ZACDQIPRCFAXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-19(27)25-23(24(28)26-15-7-2-3-8-16-26)18-30-22-13-11-21(12-14-22)29-17-20-9-5-4-6-10-20/h4-6,9-14,23H,2-3,7-8,15-18H2,1H3,(H,25,27).
What are the key properties of N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide?
N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide has a molecular weight of 426.58 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(azepan-1-yl)-1-oxo-3-(4-phenylmethoxyphenyl)sulfanylpropan-2-yl]acetamide is sourced from PubChem (CID 4286432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).