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

C20H22N4O4S — CID 55621885

IUPACN-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)s3)CCCCCC2)no1
InChIInChI=1S/C20H22N4O4S/c1-13-21-19(24-28-13)20(10-4-2-3-5-11-20)23-18(26)15-8-9-16(29-15)22-17(25)14-7-6-12-27-14/h6-9,12H,2-5,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyCNIQQKABTZIYEJ-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.26
Rot. Bonds5

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

N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 55621885) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID55621885
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC NameN-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1nc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)s3)CCCCCC2)no1
InChIInChI=1S/C20H22N4O4S/c1-13-21-19(24-28-13)20(10-4-2-3-5-11-20)23-18(26)15-8-9-16(29-15)22-17(25)14-7-6-12-27-14/h6-9,12H,2-5,10-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyCNIQQKABTZIYEJ-UHFFFAOYSA-N
XLogP4.26
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(furan-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-1,2-oxazole-3-carboxamide
CID 51076156
5-methyl-N-[2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 55980725
1-(furan-2-carbonyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]piperidine-4-carboxamide
CID 55528496
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559839
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 31306841
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]pyrazine-2-carboxamide
CID 33357885
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 71898998
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
1-[(4-fluorophenyl)methyl]-3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46687976

Frequently Asked Questions

What is the IUPAC name of N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 55621885) is N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1nc(C2(NC(=O)c3ccc(NC(=O)c4ccco4)s3)CCCCCC2)no1.
What is the InChIKey of N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is CNIQQKABTZIYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-13-21-19(24-28-13)20(10-4-2-3-5-11-20)23-18(26)15-8-9-16(29-15)22-17(25)14-7-6-12-27-14/h6-9,12H,2-5,10-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 55621885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).