N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide

C19H22N2O2S — CID 166180453

IUPACN-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC2CC2)s1
InChIInChI=1S/C19H22N2O2S/c1-2-15-10-11-17(24-15)19(23)21-16(18(22)20-14-8-9-14)12-13-6-4-3-5-7-13/h3-7,10-11,14,16H,2,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeySJUMUIZKDHFDOS-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.93
Rot. Bonds7

About N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide

N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide (PubChem CID 166180453) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
PubChem CID166180453
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC2CC2)s1
InChIInChI=1S/C19H22N2O2S/c1-2-15-10-11-17(24-15)19(23)21-16(18(22)20-14-8-9-14)12-13-6-4-3-5-7-13/h3-7,10-11,14,16H,2,8-9,12H2,1H3,(H,20,22)(H,21,23)
InChIKeySJUMUIZKDHFDOS-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
cyclopentyl (2S)-2-[[5-(cyclopropylmethyl)thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 166358012
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
3-[(5-ethylthiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 43351346
N-cyclopropyl-2-(ethylsulfonylamino)-3-phenylpropanamide
CID 51107382
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 166195024
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
N-[1-[(5-ethylthiophen-2-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46476107
N-[1-oxo-3-phenyl-1-[(1-propylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 78810004

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide (CID 166180453) is N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC(Cc2ccccc2)C(=O)NC2CC2)s1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide?
The InChIKey is SJUMUIZKDHFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-15-10-11-17(24-15)19(23)21-16(18(22)20-14-8-9-14)12-13-6-4-3-5-7-13/h3-7,10-11,14,16H,2,8-9,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide?
N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxo-3-phenylpropan-2-yl]-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 166180453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).