5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide

C18H22N2O2S — CID 30805020

IUPAC5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@H](C)CCc2ccccc2)s1
InChIInChI=1S/C18H22N2O2S/c1-13(8-10-15-6-4-3-5-7-15)20-17(21)12-19-18(22)16-11-9-14(2)23-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyOQZLOXRZIJGMAV-CYBMUJFWSA-N
MW330.45 g/mol
LogP2.92
Rot. Bonds7

About 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide

5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide (PubChem CID 30805020) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
PubChem CID30805020
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@H](C)CCc2ccccc2)s1
InChIInChI=1S/C18H22N2O2S/c1-13(8-10-15-6-4-3-5-7-15)20-17(21)12-19-18(22)16-11-9-14(2)23-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1
InChIKeyOQZLOXRZIJGMAV-CYBMUJFWSA-N
XLogP2.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18162543
[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7524439
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26004667
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 55849696
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide (CID 30805020) is 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N[C@H](C)CCc2ccccc2)s1.
What is the InChIKey of 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide?
The InChIKey is OQZLOXRZIJGMAV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(8-10-15-6-4-3-5-7-15)20-17(21)12-19-18(22)16-11-9-14(2)23-16/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m1/s1.
What are the key properties of 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide?
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 30805020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).