[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate

C14H14N2O5S2 — CID 2570849

IUPAC[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14N2O5S2/c1-9(21-14(18)12-3-2-8-22-12)13(17)16-10-4-6-11(7-5-10)23(15,19)20/h2-9H,1H3,(H,16,17)(H2,15,19,20)/t9-/m1/s1
InChIKeyCCTOFOJZOGXVJH-SECBINFHSA-N
MW354.41 g/mol
LogP1.58
Rot. Bonds5

About [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate

[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate (PubChem CID 2570849) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
PubChem CID2570849
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H14N2O5S2/c1-9(21-14(18)12-3-2-8-22-12)13(17)16-10-4-6-11(7-5-10)23(15,19)20/h2-9H,1H3,(H,16,17)(H2,15,19,20)/t9-/m1/s1
InChIKeyCCTOFOJZOGXVJH-SECBINFHSA-N
XLogP1.58
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-oxo-1-(4-phenoxyanilino)propan-2-yl] thiophene-2-carboxylate
CID 4597020
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] pyridine-4-carboxylate
CID 7783819
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-bromobenzoate
CID 16539796
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-acetamidobenzoate
CID 55315726
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605545
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7238843
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 26004581
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631489
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-methylsulfanylbenzoate
CID 8507698
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] (2R)-2-phenoxypropanoate
CID 7833590
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(methoxymethyl)benzoate
CID 7488811
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2,4-dimethylbenzoate
CID 7796078

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate (CID 2570849) is [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate is C[C@@H](OC(=O)c1cccs1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate?
The InChIKey is CCTOFOJZOGXVJH-SECBINFHSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-9(21-14(18)12-3-2-8-22-12)13(17)16-10-4-6-11(7-5-10)23(15,19)20/h2-9H,1H3,(H,16,17)(H2,15,19,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate?
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 2570849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).