N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide

C18H19ClN2O3S — CID 9108589

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c1-2-10-21(12-15-8-9-16(19)25-15)18(23)11-20-17(22)13-24-14-6-4-3-5-7-14/h2-9H,1,10-13H2,(H,20,22)
InChIKeyRDQDTHVSHFQTHO-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.11
Rot. Bonds9

About N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide

N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide (PubChem CID 9108589) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
PubChem CID9108589
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
SMILESC=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C18H19ClN2O3S/c1-2-10-21(12-15-8-9-16(19)25-15)18(23)11-20-17(22)13-24-14-6-4-3-5-7-14/h2-9H,1,10-13H2,(H,20,22)
InChIKeyRDQDTHVSHFQTHO-UHFFFAOYSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide (CID 9108589) is N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide is C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
The InChIKey is RDQDTHVSHFQTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-2-10-21(12-15-8-9-16(19)25-15)18(23)11-20-17(22)13-24-14-6-4-3-5-7-14/h2-9H,1,10-13H2,(H,20,22).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide has a molecular weight of 378.88 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 9108589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).