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N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide

C21H18N4O4S — CID 53078605

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1
InChIInChI=1S/C21H18N4O4S/c1-11-6-7-14(9-15(11)23-21(27)17-5-4-8-28-17)20(26)24-16-10-18(30-12(16)2)19-22-13(3)29-25-19/h4-10H,1-3H3,(H,23,27)(H,24,26)
InChIKeyLTOGTNSMEGAROX-UHFFFAOYSA-N
MW422.47 g/mol
LogP4.82
Rot. Bonds5

About N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 53078605) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID53078605
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1
InChIInChI=1S/C21H18N4O4S/c1-11-6-7-14(9-15(11)23-21(27)17-5-4-8-28-17)20(26)24-16-10-18(30-12(16)2)19-22-13(3)29-25-19/h4-10H,1-3H3,(H,23,27)(H,24,26)
InChIKeyLTOGTNSMEGAROX-UHFFFAOYSA-N
XLogP4.82
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 53078605) is N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide is Cc1nc(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c(C)s2)no1.
What is the InChIKey of N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is LTOGTNSMEGAROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-11-6-7-14(9-15(11)23-21(27)17-5-4-8-28-17)20(26)24-16-10-18(30-12(16)2)19-22-13(3)29-25-19/h4-10H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 422.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 53078605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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