N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

C11H16N2O3S — CID 79031640

IUPACN-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@H](C)CO)s1
InChIInChI=1S/C11H16N2O3S/c1-7(6-14)13-10(15)5-12-11(16)9-4-3-8(2)17-9/h3-4,7,14H,5-6H2,1-2H3,(H,12,16)(H,13,15)/t7-/m1/s1
InChIKeyMBVHILSJFFTPOF-SSDOTTSWSA-N
MW256.33 g/mol
LogP0.28
Rot. Bonds5

About N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (PubChem CID 79031640) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
PubChem CID79031640
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCC(=O)N[C@H](C)CO)s1
InChIInChI=1S/C11H16N2O3S/c1-7(6-14)13-10(15)5-12-11(16)9-4-3-8(2)17-9/h3-4,7,14H,5-6H2,1-2H3,(H,12,16)(H,13,15)/t7-/m1/s1
InChIKeyMBVHILSJFFTPOF-SSDOTTSWSA-N
XLogP0.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-hydroxy-2-methylpropyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 65032211
5-methyl-N-[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]thiophene-2-carboxamide
CID 30805020
N-[2-[4-(furan-2-yl)butan-2-ylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18162543
2-cyclopropyl-2-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62694994
N-[2-(2-acetylhydrazinyl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 30905433
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 26004667
N-[2-(2-hydroxybutylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 113492648
N-[2-[1-(3,4-difluorophenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18112632
N-(2,3-dihydroxypropyl)-5-methylthiophene-2-carboxamide
CID 66176220
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 47439179
N-[(2S)-1-aminopropan-2-yl]-5-methylthiophene-2-carboxamide
CID 131159537
N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 103825297

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide (CID 79031640) is N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCC(=O)N[C@H](C)CO)s1.
What is the InChIKey of N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is MBVHILSJFFTPOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(6-14)13-10(15)5-12-11(16)9-4-3-8(2)17-9/h3-4,7,14H,5-6H2,1-2H3,(H,12,16)(H,13,15)/t7-/m1/s1.
What are the key properties of N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide?
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 79031640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).