N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide

C17H27N3O5S — CID 113149986

IUPACN-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)CN(CCN2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H27N3O5S/c1-24-16-5-3-15(4-6-16)13-18-17(21)14-20(26(2,22)23)8-7-19-9-11-25-12-10-19/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeyFZPUGEIPSYGBDU-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.09
Rot. Bonds9

About N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide

N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide (PubChem CID 113149986) has the molecular formula C17H27N3O5S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
PubChem CID113149986
Molecular FormulaC17H27N3O5S
Molecular Weight385.49 g/mol
Exact Mass385.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
SMILESCOc1ccc(CNC(=O)CN(CCN2CCOCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H27N3O5S/c1-24-16-5-3-15(4-6-16)13-18-17(21)14-20(26(2,22)23)8-7-19-9-11-25-12-10-19/h3-6H,7-14H2,1-2H3,(H,18,21)
InChIKeyFZPUGEIPSYGBDU-UHFFFAOYSA-N
XLogP-0.09
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]propanamide
CID 113138263
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149983
N-[2-(4-fluorophenyl)ethyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide
CID 113149995
2-[ethyl-(4-methoxyphenyl)sulfonylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 45372972
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113150992
2-[2-(4-methoxyphenoxy)ethyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 113152810
N-benzyl-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152206
2-[acetyl(2-morpholin-4-ylethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113160614
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
1-[(4-methoxyphenyl)methyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111181781
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide (CID 113149986) is N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide is COc1ccc(CNC(=O)CN(CCN2CCOCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
The InChIKey is FZPUGEIPSYGBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O5S/c1-24-16-5-3-15(4-6-16)13-18-17(21)14-20(26(2,22)23)8-7-19-9-11-25-12-10-19/h3-6H,7-14H2,1-2H3,(H,18,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide?
N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide has a molecular weight of 385.49 g/mol, XLogP of -0.09, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[methylsulfonyl(2-morpholin-4-ylethyl)amino]acetamide is sourced from PubChem (CID 113149986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).