[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate

C20H24N2O4S — CID 8662339

IUPAC[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C20H24N2O4S/c1-4-13(2)15-8-5-6-9-16(15)22-19(24)14(3)26-18(23)12-21-20(25)17-10-7-11-27-17/h5-11,13-14H,4,12H2,1-3H3,(H,21,25)(H,22,24)/t13-,14-/m0/s1
InChIKeyVCNZCBXACSYSAB-KBPBESRZSA-N
MW388.49 g/mol
LogP3.56
Rot. Bonds8

About [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate

[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate (PubChem CID 8662339) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
PubChem CID8662339
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
SMILESCC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C20H24N2O4S/c1-4-13(2)15-8-5-6-9-16(15)22-19(24)14(3)26-18(23)12-21-20(25)17-10-7-11-27-17/h5-11,13-14H,4,12H2,1-3H3,(H,21,25)(H,22,24)/t13-,14-/m0/s1
InChIKeyVCNZCBXACSYSAB-KBPBESRZSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate with MolForge

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Related Compounds

[1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 55318942
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-[(3-fluorobenzoyl)amino]acetate
CID 8662703
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808033
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662203
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808059
[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7808058
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750340
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-chlorophenyl)acetate
CID 7750336
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(4-bromophenyl)acetate
CID 7825807
[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 7837925
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 7146771

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate (CID 8662339) is [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate is CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)CNC(=O)c1cccs1.
What is the InChIKey of [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is VCNZCBXACSYSAB-KBPBESRZSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-4-13(2)15-8-5-6-9-16(15)22-19(24)14(3)26-18(23)12-21-20(25)17-10-7-11-27-17/h5-11,13-14H,4,12H2,1-3H3,(H,21,25)(H,22,24)/t13-,14-/m0/s1.
What are the key properties of [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate?
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 388.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 8662339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).