N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide

C17H23N3O4S — CID 118776743

IUPACN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(COc1ccc(NC(=O)N2CCSCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H23N3O4S/c21-16(19-5-9-23-10-6-19)13-24-15-3-1-14(2-4-15)18-17(22)20-7-11-25-12-8-20/h1-4H,5-13H2,(H,18,22)
InChIKeyIYEFMIFKIRPCPS-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.50
Rot. Bonds4

About N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide (PubChem CID 118776743) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
PubChem CID118776743
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC NameN-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(COc1ccc(NC(=O)N2CCSCC2)cc1)N1CCOCC1
InChIInChI=1S/C17H23N3O4S/c21-16(19-5-9-23-10-6-19)13-24-15-3-1-14(2-4-15)18-17(22)20-7-11-25-12-8-20/h1-4H,5-13H2,(H,18,22)
InChIKeyIYEFMIFKIRPCPS-UHFFFAOYSA-N
XLogP1.50
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
(2S)-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,4-oxazepane-4-carboxamide
CID 125155597
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(morpholin-4-ylmethyl)phenyl]thiomorpholine-4-carboxamide
CID 134584192
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
N-[4-(oxiran-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 71370344
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1,3-benzodioxole-5-carboxamide
CID 992710
molecular hydrogen;N-(4-phenylmethoxyphenyl)morpholine-4-carboxamide
CID 143052664
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide (CID 118776743) is N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide is O=C(COc1ccc(NC(=O)N2CCSCC2)cc1)N1CCOCC1.
What is the InChIKey of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is IYEFMIFKIRPCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c21-16(19-5-9-23-10-6-19)13-24-15-3-1-14(2-4-15)18-17(22)20-7-11-25-12-8-20/h1-4H,5-13H2,(H,18,22).
What are the key properties of N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide?
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 118776743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).