N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

C22H23N3O4S — CID 55761426

IUPACN-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(OC3CCCC3)c2)cs1
InChIInChI=1S/C22H23N3O4S/c1-14-19(9-10-28-14)21(27)25-22-24-16(13-30-22)12-20(26)23-15-5-4-8-18(11-15)29-17-6-2-3-7-17/h4-5,8-11,13,17H,2-3,6-7,12H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyWRYSGNWGUKHOMU-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.80
Rot. Bonds7

About N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide

N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (PubChem CID 55761426) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
PubChem CID55761426
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(OC3CCCC3)c2)cs1
InChIInChI=1S/C22H23N3O4S/c1-14-19(9-10-28-14)21(27)25-22-24-16(13-30-22)12-20(26)23-15-5-4-8-18(11-15)29-17-6-2-3-7-17/h4-5,8-11,13,17H,2-3,6-7,12H2,1H3,(H,23,26)(H,24,25,27)
InChIKeyWRYSGNWGUKHOMU-UHFFFAOYSA-N
XLogP4.80
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-[[3-(cyclopentanecarbonylamino)phenyl]methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55894433
N-[4-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 46488414
2-methyl-N-[4-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 55760523
ethyl 2-[2-[[2-[2-[(2-methylfuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 46492925
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119603182
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 119477021
N-[4-[2-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55760541
N-[4-[2-[1-(3-chlorophenyl)propylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 55761215
2-methyl-N-[4-[2-oxo-2-[1-(oxolan-3-yl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119042005
2-methyl-N-[4-[2-oxo-2-(oxolan-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 47045235
N-[4-[2-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide
CID 95786320
2-methyl-N-[4-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]furan-3-carboxamide
CID 119536067

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide (CID 55761426) is N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nc(CC(=O)Nc2cccc(OC3CCCC3)c2)cs1.
What is the InChIKey of N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
The InChIKey is WRYSGNWGUKHOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-14-19(9-10-28-14)21(27)25-22-24-16(13-30-22)12-20(26)23-15-5-4-8-18(11-15)29-17-6-2-3-7-17/h4-5,8-11,13,17H,2-3,6-7,12H2,1H3,(H,23,26)(H,24,25,27).
What are the key properties of N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide?
N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-cyclopentyloxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 55761426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).