5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid

C18H24N2O4S — CID 167882848

IUPAC5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
SMILESO=C(O)CCCC(=O)CNC(=O)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C18H24N2O4S/c21-16(2-1-3-17(22)23)12-19-18(24)15-6-4-14(5-7-15)13-20-8-10-25-11-9-20/h4-7H,1-3,8-13H2,(H,19,24)(H,22,23)
InChIKeyBDNORDDFWFDQND-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.79
Rot. Bonds9

About 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid

5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid (PubChem CID 167882848) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid.

Molecular Properties

Compound Name5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
PubChem CID167882848
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid
SMILESO=C(O)CCCC(=O)CNC(=O)c1ccc(CN2CCSCC2)cc1
InChIInChI=1S/C18H24N2O4S/c21-16(2-1-3-17(22)23)12-19-18(24)15-6-4-14(5-7-15)13-20-8-10-25-11-9-20/h4-7H,1-3,8-13H2,(H,19,24)(H,22,23)
InChIKeyBDNORDDFWFDQND-UHFFFAOYSA-N
XLogP1.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(thiomorpholin-4-ylmethyl)benzoate
CID 10106210
N-[[4-(butanoylamino)phenyl]methyl]-4-(thiomorpholin-4-ylmethyl)benzamide
CID 166181272
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-[4,7-bis(carboxymethyl)-10-[[4-(sulfanylcarbamoyl)phenyl]methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 148663109
methyl 4-(1,4-thiazepan-4-ylmethyl)benzoate
CID 61419246
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981
2-[[2-[[2-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)benzoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10483110
(2-chlorophenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724527
4-(morpholin-4-ylmethyl)-N-[6-[[4-(morpholin-4-ylmethyl)benzoyl]amino]hexyl]benzamide
CID 2864244
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2095623
(3,5-dimethylphenyl)-[4-(thiomorpholin-4-ylmethyl)phenyl]methanone
CID 24724523

Frequently Asked Questions

What is the IUPAC name of 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
The IUPAC name of 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid (CID 167882848) is 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid.
What is the SMILES notation for 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
The canonical SMILES for 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid is O=C(O)CCCC(=O)CNC(=O)c1ccc(CN2CCSCC2)cc1.
What is the InChIKey of 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
The InChIKey is BDNORDDFWFDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c21-16(2-1-3-17(22)23)12-19-18(24)15-6-4-14(5-7-15)13-20-8-10-25-11-9-20/h4-7H,1-3,8-13H2,(H,19,24)(H,22,23).
What are the key properties of 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid?
5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid has a molecular weight of 364.47 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-6-[[4-(thiomorpholin-4-ylmethyl)benzoyl]amino]hexanoic acid is sourced from PubChem (CID 167882848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).