carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide

C22H27N3O6S — CID 121281756

IUPACcarbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide
SMILESCC1(C)OC(C)(C)c2c1sc(NC(=O)C1=CCCC1)c2-c1nc(C2CC2)no1.O=C(O)O
InChIInChI=1S/C21H25N3O3S.CH2O3/c1-20(2)14-13(18-22-16(24-26-18)11-9-10-11)19(28-15(14)21(3,4)27-20)23-17(25)12-7-5-6-8-12;2-1(3)4/h7,11H,5-6,8-10H2,1-4H3,(H,23,25);(H2,2,3,4)
InChIKeyPJBGFOMWHMLLIP-UHFFFAOYSA-N
MW461.54 g/mol
LogP5.45
Rot. Bonds4

About carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide

carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide (PubChem CID 121281756) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Namecarbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide
PubChem CID121281756
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Namecarbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide
SMILESCC1(C)OC(C)(C)c2c1sc(NC(=O)C1=CCCC1)c2-c1nc(C2CC2)no1.O=C(O)O
InChIInChI=1S/C21H25N3O3S.CH2O3/c1-20(2)14-13(18-22-16(24-26-18)11-9-10-11)19(28-15(14)21(3,4)27-20)23-17(25)12-7-5-6-8-12;2-1(3)4/h7,11H,5-6,8-10H2,1-4H3,(H,23,25);(H2,2,3,4)
InChIKeyPJBGFOMWHMLLIP-UHFFFAOYSA-N
XLogP5.45
TPSA134.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.54
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide with MolForge

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Related Compounds

carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-difluoro-5,7-dihydro-4H-1-benzothiophen-2-yl]cyclopentene-1-carboxamide
CID 121281613
carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
CID 121281279
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopentene-1-carboxamide
CID 121281479
N-[(6S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopentene-1-carboxamide
CID 121281515
N-[(6S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-fluoro-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclohexene-1-carboxamide
CID 121281692
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-amine
CID 118158662
N-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopentene-1-carboxamide
CID 121281268
carbonic acid;N-[3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]cyclopentene-1-carboxamide
CID 121281408
2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
CID 72734699
2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methyl-5-(oxetan-3-yl)thiophen-2-yl]carbamoyl]cyclohexene-1-carboxylic acid
CID 73441856
2-[[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-dien-4-yl]carbamoyl]cyclopentene-1-carboxylic acid
CID 72734423
3-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-2-ene-2-carboxylic acid
CID 118158551

Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide?
The IUPAC name of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide (CID 121281756) is carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide?
The canonical SMILES for carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide is CC1(C)OC(C)(C)c2c1sc(NC(=O)C1=CCCC1)c2-c1nc(C2CC2)no1.O=C(O)O.
What is the InChIKey of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide?
The InChIKey is PJBGFOMWHMLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S.CH2O3/c1-20(2)14-13(18-22-16(24-26-18)11-9-10-11)19(28-15(14)21(3,4)27-20)23-17(25)12-7-5-6-8-12;2-1(3)4/h7,11H,5-6,8-10H2,1-4H3,(H,23,25);(H2,2,3,4).
What are the key properties of carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide?
carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 5.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,4,6,6-tetramethylthieno[2,3-c]furan-2-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 121281756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).