N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

C21H26N2O3S — CID 42949315

IUPACN-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-14(2)19(23-20(24)18-11-6-12-27-18)21(25)22-15-7-5-10-17(13-15)26-16-8-3-4-9-16/h5-7,10-14,16,19H,3-4,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCEFDLEFHRVGNSZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.46
Rot. Bonds7

About N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide

N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (PubChem CID 42949315) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
PubChem CID42949315
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
SMILESCC(C)C(NC(=O)c1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-14(2)19(23-20(24)18-11-6-12-27-18)21(25)22-15-7-5-10-17(13-15)26-16-8-3-4-9-16/h5-7,10-14,16,19H,3-4,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCEFDLEFHRVGNSZ-UHFFFAOYSA-N
XLogP4.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-1-oxo-1-[3-(trifluoromethoxy)anilino]butan-2-yl]thiophene-2-carboxamide
CID 46539957
N-[1-(3-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51194882
2-amino-N-(3-cyclopentyloxyphenyl)propanamide
CID 82044663
N-[1-(3,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195196
N-[1-(3-cyclohexyloxypropylamino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46613206
N-[3-methyl-1-[4-(2-methylpropanoylamino)anilino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46669254
N-[1-(3-bromo-4-methylanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55555316
N-(3-cyclopentyloxyphenyl)-2-phenoxypropanamide
CID 46579795
N-[1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 2934696
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999258
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate
CID 8999260
N-[1-[(6-methoxy-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 46652106

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide (CID 42949315) is N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is CC(C)C(NC(=O)c1cccs1)C(=O)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
The InChIKey is CEFDLEFHRVGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-14(2)19(23-20(24)18-11-6-12-27-18)21(25)22-15-7-5-10-17(13-15)26-16-8-3-4-9-16/h5-7,10-14,16,19H,3-4,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide?
N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide has a molecular weight of 386.52 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopentyloxyanilino)-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42949315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).