(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide

C19H26N2O3S — CID 52816902

IUPAC(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
SMILESC=CCCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-3-4-11-24-15(2)19(23)20-17-7-5-16(6-8-17)14-18(22)21-9-12-25-13-10-21/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,23)/t15-/m1/s1
InChIKeyAFNZMXVBONEXRS-OAHLLOKOSA-N
MW362.50 g/mol
LogP2.72
Rot. Bonds8

About (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide

(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide (PubChem CID 52816902) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
PubChem CID52816902
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide
SMILESC=CCCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1
InChIInChI=1S/C19H26N2O3S/c1-3-4-11-24-15(2)19(23)20-17-7-5-16(6-8-17)14-18(22)21-9-12-25-13-10-21/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,23)/t15-/m1/s1
InChIKeyAFNZMXVBONEXRS-OAHLLOKOSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610
1-[(2S)-3-methylbutan-2-yl]-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 95157329
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-but-3-enoxypropanamide
CID 47081584
N-[4-[[(2R)-2-but-3-enoxypropanoyl]amino]phenyl]-3-methylbutanamide
CID 94782069
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 87032175
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-pentylurea
CID 60611963
1-(4-methylcyclohexyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60612038
1-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]-3-(1-pyridin-4-ylethyl)urea
CID 60612014
2-[3-(2-but-3-enoxypropanoylamino)phenyl]acetic acid
CID 119351982
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
N',N'-diethyl-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanediamide
CID 56520484

Frequently Asked Questions

What is the IUPAC name of (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide (CID 52816902) is (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide is C=CCCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CCSCC2)cc1.
What is the InChIKey of (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide?
The InChIKey is AFNZMXVBONEXRS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-3-4-11-24-15(2)19(23)20-17-7-5-16(6-8-17)14-18(22)21-9-12-25-13-10-21/h3,5-8,15H,1,4,9-14H2,2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide?
(2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide has a molecular weight of 362.50 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-but-3-enoxy-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]propanamide is sourced from PubChem (CID 52816902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).