[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate

C21H26N2O5S — CID 9061596

IUPAC[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
SMILESC[C@@H](OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C21H26N2O5S/c1-12(18(25)23-19-16(17(22)24)10-11-29-19)28-20(26)13(2)27-15-8-6-14(7-9-15)21(3,4)5/h6-13H,1-5H3,(H2,22,24)(H,23,25)/t12-,13-/m1/s1
InChIKeyJLVWFKIUMVSTHV-CHWSQXEVSA-N
MW418.52 g/mol
LogP3.48
Rot. Bonds7

About [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate (PubChem CID 9061596) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
PubChem CID9061596
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
SMILESC[C@@H](OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C21H26N2O5S/c1-12(18(25)23-19-16(17(22)24)10-11-29-19)28-20(26)13(2)27-15-8-6-14(7-9-15)21(3,4)5/h6-13H,1-5H3,(H2,22,24)(H,23,25)/t12-,13-/m1/s1
InChIKeyJLVWFKIUMVSTHV-CHWSQXEVSA-N
XLogP3.48
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958451
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-bromophenoxy)acetate
CID 55419469
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 26767677
2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 40820890
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984870
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
CID 41325166
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-fluorophenoxy)propanoate
CID 8935981
[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] (2S)-2-(4-fluorophenoxy)propanoate
CID 8935994

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate (CID 9061596) is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate is C[C@@H](OC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
The InChIKey is JLVWFKIUMVSTHV-CHWSQXEVSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-12(18(25)23-19-16(17(22)24)10-11-29-19)28-20(26)13(2)27-15-8-6-14(7-9-15)21(3,4)5/h6-13H,1-5H3,(H2,22,24)(H,23,25)/t12-,13-/m1/s1.
What are the key properties of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate?
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate has a molecular weight of 418.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 9061596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).