N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide

C19H30N2O2S — CID 119938284

IUPACN-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)CCOc1ccc(C(C)NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C19H30N2O2S/c1-14(2)8-10-23-18-6-4-16(5-7-18)15(3)21-19(22)12-17-13-24-11-9-20-17/h4-7,14-15,17,20H,8-13H2,1-3H3,(H,21,22)
InChIKeyBCHYSXRFRSAGAL-UHFFFAOYSA-N
MW350.53 g/mol
LogP3.38
Rot. Bonds8

About N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide

N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119938284) has the molecular formula C19H30N2O2S and a molecular weight of 350.53 g/mol. Its IUPAC name is N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119938284
Molecular FormulaC19H30N2O2S
Molecular Weight350.53 g/mol
Exact Mass350.20
IUPAC NameN-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)CCOc1ccc(C(C)NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C19H30N2O2S/c1-14(2)8-10-23-18-6-4-16(5-7-18)15(3)21-19(22)12-17-13-24-11-9-20-17/h4-7,14-15,17,20H,8-13H2,1-3H3,(H,21,22)
InChIKeyBCHYSXRFRSAGAL-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939633
N-[1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937248
2-thiomorpholin-3-yl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]acetamide;hydrochloride
CID 119937740
N-[1-(4-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66420296
N-(1-naphthalen-2-ylethyl)-2-thiomorpholin-3-ylacetamide
CID 119935410
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66421239
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937198
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936763
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937616
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935675
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81372204
N-[(1S)-1-(3-bromophenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 81375971

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide (CID 119938284) is N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide is CC(C)CCOc1ccc(C(C)NC(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is BCHYSXRFRSAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2S/c1-14(2)8-10-23-18-6-4-16(5-7-18)15(3)21-19(22)12-17-13-24-11-9-20-17/h4-7,14-15,17,20H,8-13H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide?
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 350.53 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119938284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).