[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate

C13H11ClN2O4S2 — CID 41325166

IUPAC[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H11ClN2O4S2/c1-6(20-13(19)8-2-3-9(14)22-8)11(18)16-12-7(10(15)17)4-5-21-12/h2-6H,1H3,(H2,15,17)(H,16,18)/t6-/m1/s1
InChIKeyBMXCWEDKVIBQJT-ZCFIWIBFSA-N
MW358.83 g/mol
LogP2.75
Rot. Bonds5

About [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate (PubChem CID 41325166) has the molecular formula C13H11ClN2O4S2 and a molecular weight of 358.83 g/mol. Its IUPAC name is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
PubChem CID41325166
Molecular FormulaC13H11ClN2O4S2
Molecular Weight358.83 g/mol
Exact Mass357.98
IUPAC Name[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C13H11ClN2O4S2/c1-6(20-13(19)8-2-3-9(14)22-8)11(18)16-12-7(10(15)17)4-5-21-12/h2-6H,1H3,(H2,15,17)(H,16,18)/t6-/m1/s1
InChIKeyBMXCWEDKVIBQJT-ZCFIWIBFSA-N
XLogP2.75
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dichloro-5-fluorobenzoate
CID 55423548
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 17392568
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,6-difluorobenzoate
CID 40820890
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 41090633
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 41325155
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8550118
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-chlorophenoxy)acetate
CID 26767677
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958451
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate
CID 17392567
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 41013599

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
The IUPAC name of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate (CID 41325166) is [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate is C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
The InChIKey is BMXCWEDKVIBQJT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C13H11ClN2O4S2/c1-6(20-13(19)8-2-3-9(14)22-8)11(18)16-12-7(10(15)17)4-5-21-12/h2-6H,1H3,(H2,15,17)(H,16,18)/t6-/m1/s1.
What are the key properties of [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate?
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 5-chlorothiophene-2-carboxylate has a molecular weight of 358.83 g/mol, XLogP of 2.75, 5 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] 5-chlorothiophene-2-carboxylate is sourced from PubChem (CID 41325166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).