N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

C17H18N4O2S — CID 123757035

IUPACN-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CC3(CNc4ccccc43)CN2)s1
InChIInChI=1S/C17H18N4O2S/c18-15(22)13-5-6-14(24-13)21-16(23)12-7-17(9-20-12)8-19-11-4-2-1-3-10(11)17/h1-6,12,19-20H,7-9H2,(H2,18,22)(H,21,23)
InChIKeyDOSQOKYBAWWDMQ-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.51
Rot. Bonds3

About N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide

N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 123757035) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID123757035
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide
SMILESNC(=O)c1ccc(NC(=O)C2CC3(CNc4ccccc43)CN2)s1
InChIInChI=1S/C17H18N4O2S/c18-15(22)13-5-6-14(24-13)21-16(23)12-7-17(9-20-12)8-19-11-4-2-1-3-10(11)17/h1-6,12,19-20H,7-9H2,(H2,18,22)(H,21,23)
InChIKeyDOSQOKYBAWWDMQ-UHFFFAOYSA-N
XLogP1.51
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide (CID 123757035) is N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is NC(=O)c1ccc(NC(=O)C2CC3(CNc4ccccc43)CN2)s1.
What is the InChIKey of N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is DOSQOKYBAWWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-15(22)13-5-6-14(24-13)21-16(23)12-7-17(9-20-12)8-19-11-4-2-1-3-10(11)17/h1-6,12,19-20H,7-9H2,(H2,18,22)(H,21,23).
What are the key properties of N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide?
N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.51, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoylthiophen-2-yl)spiro[1,2-dihydroindole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 123757035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).