N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

C21H18N2O5S — CID 31306841

IUPACN-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1)c1ccco1
InChIInChI=1S/C21H18N2O5S/c24-19(15-4-3-11-26-15)23-18-8-7-17(29-18)20(25)22-13-5-6-14-16(12-13)28-21(27-14)9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,22,25)(H,23,24)
InChIKeyZKAYUADMXGTRFY-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.89
Rot. Bonds4

About N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide

N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (PubChem CID 31306841) has the molecular formula C21H18N2O5S and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
PubChem CID31306841
Molecular FormulaC21H18N2O5S
Molecular Weight410.45 g/mol
Exact Mass410.09
IUPAC NameN-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1)c1ccco1
InChIInChI=1S/C21H18N2O5S/c24-19(15-4-3-11-26-15)23-18-8-7-17(29-18)20(25)22-13-5-6-14-16(12-13)28-21(27-14)9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,22,25)(H,23,24)
InChIKeyZKAYUADMXGTRFY-UHFFFAOYSA-N
XLogP4.89
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl]furan-2-carboxamide
CID 9454088
5-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylthiophene-2-carboxamide
CID 29365310
N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide
CID 24646093
N-[5-[[4-(methylcarbamoylamino)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 46518431
N-[5-[(4-tert-butylphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31301485
N-[5-[[3-(diethylcarbamoyl)phenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31306387
propan-2-yl 4-[[5-(furan-2-carbonylamino)thiophene-2-carbonyl]amino]benzoate
CID 31306580
N-[5-[(3-prop-2-enoxyphenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 86835443
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1-benzothiophene-2-carboxamide
CID 9438065
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2-(thiophene-2-carbonyl)benzamide
CID 46646361
N-[5-[[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31315172
N-[5-[(2-bromophenyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 134024197

Frequently Asked Questions

What is the IUPAC name of N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide (CID 31306841) is N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is O=C(Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)s1)c1ccco1.
What is the InChIKey of N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
The InChIKey is ZKAYUADMXGTRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5S/c24-19(15-4-3-11-26-15)23-18-8-7-17(29-18)20(25)22-13-5-6-14-16(12-13)28-21(27-14)9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,22,25)(H,23,24).
What are the key properties of N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide?
N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylcarbamoyl)thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 31306841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).