N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide

C15H22N2O3S — CID 96528902

IUPACN-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10(2)14-11(5-6-20-14)8-16-13(18)9-17-15(19)12-4-3-7-21-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,16,18)(H,17,19)/t11-,14-/m0/s1
InChIKeyJUQFUIOJJNILSX-FZMZJTMJSA-N
MW310.42 g/mol
LogP1.66
Rot. Bonds6

About N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide

N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide (PubChem CID 96528902) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide
PubChem CID96528902
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide
SMILESCC(C)[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C15H22N2O3S/c1-10(2)14-11(5-6-20-14)8-16-13(18)9-17-15(19)12-4-3-7-21-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,16,18)(H,17,19)/t11-,14-/m0/s1
InChIKeyJUQFUIOJJNILSX-FZMZJTMJSA-N
XLogP1.66
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide with MolForge

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Related Compounds

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CID 40972437
N-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide;hydrochloride
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CID 4082368
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CID 102548401
3-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 43092634
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
(2S)-4-methyl-2-[[2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetyl]amino]pentanoic acid
CID 119361200
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxan-3-yl)methyl]acetamide
CID 119819575
2-hydroxy-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]propanoic acid
CID 66165843
4-methyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]pentanoic acid
CID 5197370

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide (CID 96528902) is N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide is CC(C)[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide?
The InChIKey is JUQFUIOJJNILSX-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(2)14-11(5-6-20-14)8-16-13(18)9-17-15(19)12-4-3-7-21-12/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H,16,18)(H,17,19)/t11-,14-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methylamino]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 96528902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).