[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate

C19H22N2O4S — CID 16931699

IUPAC[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-14(22)25-18-5-3-2-4-16(18)19(23)20-12-17(15-6-11-26-13-15)21-7-9-24-10-8-21/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,23)
InChIKeyVCUQLEVTYOJYLT-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.48
Rot. Bonds6

About [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate

[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate (PubChem CID 16931699) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate
PubChem CID16931699
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1ccccc1C(=O)NCC(c1ccsc1)N1CCOCC1
InChIInChI=1S/C19H22N2O4S/c1-14(22)25-18-5-3-2-4-16(18)19(23)20-12-17(15-6-11-26-13-15)21-7-9-24-10-8-21/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,23)
InChIKeyVCUQLEVTYOJYLT-UHFFFAOYSA-N
XLogP2.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[[2-(azepan-1-yl)-2-thiophen-3-ylethyl]carbamoyl]phenyl] acetate
CID 16931836
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
2,3-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 29235413
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30605183
2,6-difluoro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931663
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)thiophene-2-carboxamide
CID 16931706
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-4-phenylbenzamide
CID 30605147
4,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 16931698
3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30604890
3,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931647
N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)-2-thiophen-2-ylacetamide
CID 16931688
2-(4-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931692

Frequently Asked Questions

What is the IUPAC name of [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate?
The IUPAC name of [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate (CID 16931699) is [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate.
What is the SMILES notation for [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate?
The canonical SMILES for [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate is CC(=O)Oc1ccccc1C(=O)NCC(c1ccsc1)N1CCOCC1.
What is the InChIKey of [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate?
The InChIKey is VCUQLEVTYOJYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(22)25-18-5-3-2-4-16(18)19(23)20-12-17(15-6-11-26-13-15)21-7-9-24-10-8-21/h2-6,11,13,17H,7-10,12H2,1H3,(H,20,23).
What are the key properties of [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate?
[2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate has a molecular weight of 374.46 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-morpholin-4-yl-2-thiophen-3-ylethyl)carbamoyl]phenyl] acetate is sourced from PubChem (CID 16931699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).