formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide

C21H25N3O6S2 — CID 171686558

IUPACformic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide
SMILESCCC[C@@H]1N(C(=O)CNS(=O)(=O)c2cccs2)CC[C@]12C(=O)Nc1ccccc12.O=CO
InChIInChI=1S/C20H23N3O4S2.CH2O2/c1-2-6-16-20(14-7-3-4-8-15(14)22-19(20)25)10-11-23(16)17(24)13-21-29(26,27)18-9-5-12-28-18;2-1-3/h3-5,7-9,12,16,21H,2,6,10-11,13H2,1H3,(H,22,25);1H,(H,2,3)/t16-,20+;/m0./s1
InChIKeyGYFGHAXJKWGKIL-VASSOYJASA-N
MW479.58 g/mol
LogP2.02
Rot. Bonds6

About formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide

formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 171686558) has the molecular formula C21H25N3O6S2 and a molecular weight of 479.58 g/mol. Its IUPAC name is formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Nameformic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide
PubChem CID171686558
Molecular FormulaC21H25N3O6S2
Molecular Weight479.58 g/mol
Exact Mass479.12
IUPAC Nameformic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide
SMILESCCC[C@@H]1N(C(=O)CNS(=O)(=O)c2cccs2)CC[C@]12C(=O)Nc1ccccc12.O=CO
InChIInChI=1S/C20H23N3O4S2.CH2O2/c1-2-6-16-20(14-7-3-4-8-15(14)22-19(20)25)10-11-23(16)17(24)13-21-29(26,27)18-9-5-12-28-18;2-1-3/h3-5,7-9,12,16,21H,2,6,10-11,13H2,1H3,(H,22,25);1H,(H,2,3)/t16-,20+;/m0./s1
InChIKeyGYFGHAXJKWGKIL-VASSOYJASA-N
XLogP2.02
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide (CID 171686558) is formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide is CCC[C@@H]1N(C(=O)CNS(=O)(=O)c2cccs2)CC[C@]12C(=O)Nc1ccccc12.O=CO.
What is the InChIKey of formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is GYFGHAXJKWGKIL-VASSOYJASA-N. The full InChI is InChI=1S/C20H23N3O4S2.CH2O2/c1-2-6-16-20(14-7-3-4-8-15(14)22-19(20)25)10-11-23(16)17(24)13-21-29(26,27)18-9-5-12-28-18;2-1-3/h3-5,7-9,12,16,21H,2,6,10-11,13H2,1H3,(H,22,25);1H,(H,2,3)/t16-,20+;/m0./s1.
What are the key properties of formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide?
formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 479.58 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[2-oxo-2-[(2'S,3R)-2-oxo-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 171686558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).