3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide

C24H33N3O2S — CID 56536604

IUPAC3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(SCCC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1C
InChIInChI=1S/C24H33N3O2S/c1-20-4-5-23(18-21(20)2)30-17-8-24(28)27(19-22-6-9-25-10-7-22)12-3-11-26-13-15-29-16-14-26/h4-7,9-10,18H,3,8,11-17,19H2,1-2H3
InChIKeyAWONJXOSNPULNW-UHFFFAOYSA-N
MW427.61 g/mol
LogP3.93
Rot. Bonds10

About 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide

3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 56536604) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID56536604
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC Name3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESCc1ccc(SCCC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1C
InChIInChI=1S/C24H33N3O2S/c1-20-4-5-23(18-21(20)2)30-17-8-24(28)27(19-22-6-9-25-10-7-22)12-3-11-26-13-15-29-16-14-26/h4-7,9-10,18H,3,8,11-17,19H2,1-2H3
InChIKeyAWONJXOSNPULNW-UHFFFAOYSA-N
XLogP3.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylphenoxy)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide
CID 56536360
2-(4-tert-butylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564277
2-(4-bromo-2-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 55436392
5-bromo-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)thiophene-3-carboxamide
CID 56536352
3-(4-ethoxy-3-methylphenyl)-1-(3-morpholin-4-ylpropyl)-1-(pyridin-4-ylmethyl)urea
CID 86974616
N-(3-morpholin-4-ylpropyl)-4-naphthalen-1-yloxy-N-(pyridin-4-ylmethyl)butanamide
CID 56564245
2-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)acetamide
CID 56536378
N-methyl-N-[2-[3-morpholin-4-ylpropyl(pyridin-4-ylmethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 56536390
N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 56564590
N-(3-morpholin-4-ylpropyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(pyridin-4-ylmethyl)butanamide
CID 56564213
3-methoxy-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)benzamide
CID 42701708
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-prop-2-enoxy-N-(pyridin-4-ylmethyl)benzamide
CID 56536758

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide (CID 56536604) is 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide is Cc1ccc(SCCC(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is AWONJXOSNPULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-20-4-5-23(18-21(20)2)30-17-8-24(28)27(19-22-6-9-25-10-7-22)12-3-11-26-13-15-29-16-14-26/h4-7,9-10,18H,3,8,11-17,19H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide?
3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 427.61 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 56536604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).