N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide

C15H16N2O3S2 — CID 16831411

IUPACN-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S2/c1-2-16-15(18)13-10-11-6-3-4-7-12(11)17(13)22(19,20)14-8-5-9-21-14/h3-9,13H,2,10H2,1H3,(H,16,18)
InChIKeyJUHCXLHMYZLHRM-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide

N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 16831411) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID16831411
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C15H16N2O3S2/c1-2-16-15(18)13-10-11-6-3-4-7-12(11)17(13)22(19,20)14-8-5-9-21-14/h3-9,13H,2,10H2,1H3,(H,16,18)
InChIKeyJUHCXLHMYZLHRM-UHFFFAOYSA-N
XLogP2.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 16831411) is N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1cccs1.
What is the InChIKey of N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is JUHCXLHMYZLHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-2-16-15(18)13-10-11-6-3-4-7-12(11)17(13)22(19,20)14-8-5-9-21-14/h3-9,13H,2,10H2,1H3,(H,16,18).
What are the key properties of N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 16831411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).