N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C18H22N2O3S — CID 95772105

IUPACN-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NC[C@@H](CO)Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-20(18(23)16-8-5-9-24-16)12-17(22)19-11-15(13-21)10-14-6-3-2-4-7-14/h2-9,15,21H,10-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyZHPXOSXWNCDOFF-HNNXBMFYSA-N
MW346.45 g/mol
LogP1.79
Rot. Bonds8

About N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 95772105) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID95772105
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NC[C@@H](CO)Cc1ccccc1)C(=O)c1cccs1
InChIInChI=1S/C18H22N2O3S/c1-20(18(23)16-8-5-9-24-16)12-17(22)19-11-15(13-21)10-14-6-3-2-4-7-14/h2-9,15,21H,10-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyZHPXOSXWNCDOFF-HNNXBMFYSA-N
XLogP1.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
N-[2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79252389
3-[[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]methyl]benzoic acid
CID 75415549
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 103862367
2-cyclopropyl-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 62695136
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55609041
N-[2-[4-(hydroxymethyl)anilino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 64793762
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 111460860
(2R)-4-amino-2-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]-4-oxobutanoic acid
CID 107821254
N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55716009

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 95772105) is N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NC[C@@H](CO)Cc1ccccc1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is ZHPXOSXWNCDOFF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-20(18(23)16-8-5-9-24-16)12-17(22)19-11-15(13-21)10-14-6-3-2-4-7-14/h2-9,15,21H,10-13H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-2-benzyl-3-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 95772105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).