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

C14H14N2O3S2 — CID 18588039

IUPACN-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O3S2/c1-15-14(17)12-9-10-5-2-3-6-11(10)16(12)21(18,19)13-7-4-8-20-13/h2-8,12H,9H2,1H3,(H,15,17)
InChIKeyBRVHRKNWQWIBSJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.61
Rot. Bonds3

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

N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide (PubChem CID 18588039) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide
PubChem CID18588039
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC NameN-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide
SMILESCNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1cccs1
InChIInChI=1S/C14H14N2O3S2/c1-15-14(17)12-9-10-5-2-3-6-11(10)16(12)21(18,19)13-7-4-8-20-13/h2-8,12H,9H2,1H3,(H,15,17)
InChIKeyBRVHRKNWQWIBSJ-UHFFFAOYSA-N
XLogP1.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide (CID 18588039) is N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide is CNC(=O)C1Cc2ccccc2N1S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is BRVHRKNWQWIBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-15-14(17)12-9-10-5-2-3-6-11(10)16(12)21(18,19)13-7-4-8-20-13/h2-8,12H,9H2,1H3,(H,15,17).
What are the key properties of N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide?
N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 18588039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).