N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide

C17H26FN3O4S — CID 113138263

IUPACN-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)CCN1CCOCC1
InChIInChI=1S/C17H26FN3O4S/c1-26(23,24)21(9-8-20-10-12-25-13-11-20)7-6-17(22)19-14-15-2-4-16(18)5-3-15/h2-5H,6-14H2,1H3,(H,19,22)
InChIKeySLWQZPLQPBEEQA-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.43
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide

N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (PubChem CID 113138263) has the molecular formula C17H26FN3O4S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
PubChem CID113138263
Molecular FormulaC17H26FN3O4S
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)CCN1CCOCC1
InChIInChI=1S/C17H26FN3O4S/c1-26(23,24)21(9-8-20-10-12-25-13-11-20)7-6-17(22)19-14-15-2-4-16(18)5-3-15/h2-5H,6-14H2,1H3,(H,19,22)
InChIKeySLWQZPLQPBEEQA-UHFFFAOYSA-N
XLogP0.43
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149986
N-butyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138237
N-(2-methylphenyl)-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138283
3-[2-(2-fluorophenyl)ethyl-methylsulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113140274
N-cyclopropyl-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138235
3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 113138299
N-[2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]ethyl]pentanamide
CID 113066319
3-(3-fluoro-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 113145905
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139758
2-[(4-fluorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994887

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide (CID 113138263) is N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is CS(=O)(=O)N(CCC(=O)NCc1ccc(F)cc1)CCN1CCOCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
The InChIKey is SLWQZPLQPBEEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O4S/c1-26(23,24)21(9-8-20-10-12-25-13-11-20)7-6-17(22)19-14-15-2-4-16(18)5-3-15/h2-5H,6-14H2,1H3,(H,19,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide?
N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide has a molecular weight of 387.48 g/mol, XLogP of 0.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide is sourced from PubChem (CID 113138263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).