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

C17H26N2O2S — CID 119939633

IUPACN-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)CCOc1ccc(NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C17H26N2O2S/c1-13(2)7-9-21-16-5-3-14(4-6-16)19-17(20)11-15-12-22-10-8-18-15/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyYNZWIMNMHADTCX-UHFFFAOYSA-N
MW322.47 g/mol
LogP3.15
Rot. Bonds7

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

N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939633) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939633
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCC(C)CCOc1ccc(NC(=O)CC2CSCCN2)cc1
InChIInChI=1S/C17H26N2O2S/c1-13(2)7-9-21-16-5-3-14(4-6-16)19-17(20)11-15-12-22-10-8-18-15/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20)
InChIKeyYNZWIMNMHADTCX-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119938284
N-(4-propan-2-yloxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936153
methyl 2-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenoxy]acetate
CID 119936369
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-[4-(cyclopropylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119939214
2-thiomorpholin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119934992
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936487
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119936367
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799
N-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938973
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938917

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119939633) is N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide is CC(C)CCOc1ccc(NC(=O)CC2CSCCN2)cc1.
What is the InChIKey of N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is YNZWIMNMHADTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13(2)7-9-21-16-5-3-14(4-6-16)19-17(20)11-15-12-22-10-8-18-15/h3-6,13,15,18H,7-12H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 322.47 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutoxy)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).