3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

C21H25ClN2O2S — CID 55905661

IUPAC3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O2S/c22-18-3-7-20(8-4-18)27-16-10-21(25)23-19-5-1-17(2-6-19)9-11-24-12-14-26-15-13-24/h1-8H,9-16H2,(H,23,25)
InChIKeyMDSUPMIISZOTBA-UHFFFAOYSA-N
MW404.96 g/mol
LogP4.34
Rot. Bonds8

About 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (PubChem CID 55905661) has the molecular formula C21H25ClN2O2S and a molecular weight of 404.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
PubChem CID55905661
Molecular FormulaC21H25ClN2O2S
Molecular Weight404.96 g/mol
Exact Mass404.13
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C21H25ClN2O2S/c22-18-3-7-20(8-4-18)27-16-10-21(25)23-19-5-1-17(2-6-19)9-11-24-12-14-26-15-13-24/h1-8H,9-16H2,(H,23,25)
InChIKeyMDSUPMIISZOTBA-UHFFFAOYSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(2-morpholin-4-ylethyl)phenyl]butanamide
CID 119860982
N-(4-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 17257472
N-(4-chlorophenyl)-3-(4-morpholin-4-ylphenyl)propanamide
CID 110650035
2-(cyclopropylmethylamino)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide;dihydrochloride
CID 119860951
N-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55905013
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 28555537
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
3-[acetyl(2-morpholin-4-ylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113117743
3-(4-chlorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 9481313
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide (CID 55905661) is 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
The InChIKey is MDSUPMIISZOTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2S/c22-18-3-7-20(8-4-18)27-16-10-21(25)23-19-5-1-17(2-6-19)9-11-24-12-14-26-15-13-24/h1-8H,9-16H2,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide has a molecular weight of 404.96 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[4-(2-morpholin-4-ylethyl)phenyl]propanamide is sourced from PubChem (CID 55905661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).