2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid

C16H19N3O4S — CID 119210102

IUPAC2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C16H19N3O4S/c20-14(21)9-13-10-24-8-7-18(13)15(22)11-1-3-12(4-2-11)19-6-5-17-16(19)23/h1-4,13H,5-10H2,(H,17,23)(H,20,21)
InChIKeyANKGSYDKYWYYAF-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.25
Rot. Bonds4

About 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid

2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid (PubChem CID 119210102) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid
PubChem CID119210102
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid
SMILESO=C(O)CC1CSCCN1C(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C16H19N3O4S/c20-14(21)9-13-10-24-8-7-18(13)15(22)11-1-3-12(4-2-11)19-6-5-17-16(19)23/h1-4,13H,5-10H2,(H,17,23)(H,20,21)
InChIKeyANKGSYDKYWYYAF-UHFFFAOYSA-N
XLogP1.25
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(pyridazine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 113352819
2-[4-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119211050
2-[4-(3,4-dichlorobenzoyl)thiomorpholin-3-yl]acetic acid
CID 66445224
2-[4-[4-(difluoromethoxy)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119211027
2-[4-(3,5-dihydroxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 107702692
2-[4-[4-(3,3,3-trifluoropropyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 120520719
2-[4-(3,5-dibromobenzoyl)thiomorpholin-3-yl]acetic acid
CID 107971553
2-[4-(4-phenylmethoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 119210082
2-[4-[4-(phenoxymethyl)benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210867
2-[4-[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]thiomorpholin-3-yl]acetic acid
CID 119210511
1-[4-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 128988563
2-[4-(5-oxo-1,4-diazepane-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445369

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid (CID 119210102) is 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid is O=C(O)CC1CSCCN1C(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid?
The InChIKey is ANKGSYDKYWYYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c20-14(21)9-13-10-24-8-7-18(13)15(22)11-1-3-12(4-2-11)19-6-5-17-16(19)23/h1-4,13H,5-10H2,(H,17,23)(H,20,21).
What are the key properties of 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid?
2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid has a molecular weight of 349.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-oxoimidazolidin-1-yl)benzoyl]thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 119210102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).