ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate

C19H25N3O4S — CID 131954040

IUPACethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C
InChIInChI=1S/C19H25N3O4S/c1-6-22(19(25)26-7-2)18-13(5)15(10-27-18)16(23)20-9-14-11(3)8-12(4)21-17(14)24/h8,10,14H,6-7,9H2,1-5H3,(H,20,23)
InChIKeyWUKSASNZFJBDPA-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.33
Rot. Bonds6

About ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate

ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate (PubChem CID 131954040) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate
PubChem CID131954040
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Nameethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate
SMILESCCOC(=O)N(CC)c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C
InChIInChI=1S/C19H25N3O4S/c1-6-22(19(25)26-7-2)18-13(5)15(10-27-18)16(23)20-9-14-11(3)8-12(4)21-17(14)24/h8,10,14H,6-7,9H2,1-5H3,(H,20,23)
InChIKeyWUKSASNZFJBDPA-UHFFFAOYSA-N
XLogP3.33
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate?
The IUPAC name of ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate (CID 131954040) is ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate.
What is the SMILES notation for ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate?
The canonical SMILES for ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate is CCOC(=O)N(CC)c1scc(C(=O)NCC2C(=O)N=C(C)C=C2C)c1C.
What is the InChIKey of ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate?
The InChIKey is WUKSASNZFJBDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-6-22(19(25)26-7-2)18-13(5)15(10-27-18)16(23)20-9-14-11(3)8-12(4)21-17(14)24/h8,10,14H,6-7,9H2,1-5H3,(H,20,23).
What are the key properties of ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate?
ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate has a molecular weight of 391.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methylcarbamoyl]-3-methylthiophen-2-yl]-N-ethylcarbamate is sourced from PubChem (CID 131954040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).