N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide

C24H22N4O5S — CID 651650

IUPACN-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C24H22N4O5S/c1-3-28-23(31)16-7-4-5-8-17(16)27-24(28)34-14-21(29)25-15-10-11-18(20(13-15)32-2)26-22(30)19-9-6-12-33-19/h4-13H,3,14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyDTCFGNYQNOQIIW-UHFFFAOYSA-N
MW478.53 g/mol
LogP4.00
Rot. Bonds8

About N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide

N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 651650) has the molecular formula C24H22N4O5S and a molecular weight of 478.53 g/mol. Its IUPAC name is N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID651650
Molecular FormulaC24H22N4O5S
Molecular Weight478.53 g/mol
Exact Mass478.13
IUPAC NameN-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C24H22N4O5S/c1-3-28-23(31)16-7-4-5-8-17(16)27-24(28)34-14-21(29)25-15-10-11-18(20(13-15)32-2)26-22(30)19-9-6-12-33-19/h4-13H,3,14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyDTCFGNYQNOQIIW-UHFFFAOYSA-N
XLogP4.00
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide (CID 651650) is N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide is CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is DTCFGNYQNOQIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5S/c1-3-28-23(31)16-7-4-5-8-17(16)27-24(28)34-14-21(29)25-15-10-11-18(20(13-15)32-2)26-22(30)19-9-6-12-33-19/h4-13H,3,14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide?
N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 478.53 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 651650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).