N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide

C20H19NO5S — CID 71818591

IUPACN-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(C)cc(=O)oc3C)c2)cc1OC
InChIInChI=1S/C20H19NO5S/c1-11-7-18(22)26-12(2)19(11)20(23)21-17-9-14(10-27-17)13-5-6-15(24-3)16(8-13)25-4/h5-10H,1-4H3,(H,21,23)
InChIKeyATLFYSPRHHFALQ-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.25
Rot. Bonds5

About N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide

N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 71818591) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID71818591
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC NameN-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3c(C)cc(=O)oc3C)c2)cc1OC
InChIInChI=1S/C20H19NO5S/c1-11-7-18(22)26-12(2)19(11)20(23)21-17-9-14(10-27-17)13-5-6-15(24-3)16(8-13)25-4/h5-10H,1-4H3,(H,21,23)
InChIKeyATLFYSPRHHFALQ-UHFFFAOYSA-N
XLogP4.25
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 71818591) is N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3c(C)cc(=O)oc3C)c2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is ATLFYSPRHHFALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-11-7-18(22)26-12(2)19(11)20(23)21-17-9-14(10-27-17)13-5-6-15(24-3)16(8-13)25-4/h5-10H,1-4H3,(H,21,23).
What are the key properties of N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 385.44 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)thiophen-2-yl]-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 71818591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).