N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide

C15H21ClN2O2S — CID 24840324

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c16-13-1-3-14(4-2-13)21-12-6-17-15(19)5-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19)
InChIKeyBIIUPJMPEQQLQM-UHFFFAOYSA-N
MW328.86 g/mol
LogP2.27
Rot. Bonds7

About N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide

N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide (PubChem CID 24840324) has the molecular formula C15H21ClN2O2S and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide
PubChem CID24840324
Molecular FormulaC15H21ClN2O2S
Molecular Weight328.86 g/mol
Exact Mass328.10
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O2S/c16-13-1-3-14(4-2-13)21-12-6-17-15(19)5-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19)
InChIKeyBIIUPJMPEQQLQM-UHFFFAOYSA-N
XLogP2.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide (CID 24840324) is N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is BIIUPJMPEQQLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2S/c16-13-1-3-14(4-2-13)21-12-6-17-15(19)5-7-18-8-10-20-11-9-18/h1-4H,5-12H2,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 328.86 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 24840324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).