N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide

C15H16N2O3S2 — CID 95621563

IUPACN-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
SMILESC[C@H]1Cc2ccccc2[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16N2O3S2/c1-9-6-10-4-2-3-5-12(10)14(9)17-15(18)11-7-13(21-8-11)22(16,19)20/h2-5,7-9,14H,6H2,1H3,(H,17,18)(H2,16,19,20)/t9-,14-/m0/s1
InChIKeyRZEJYPXLXOFQNV-XPTSAGLGSA-N
MW336.44 g/mol
LogP2.06
Rot. Bonds3

About N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide

N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide (PubChem CID 95621563) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
PubChem CID95621563
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
SMILESC[C@H]1Cc2ccccc2[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16N2O3S2/c1-9-6-10-4-2-3-5-12(10)14(9)17-15(18)11-7-13(21-8-11)22(16,19)20/h2-5,7-9,14H,6H2,1H3,(H,17,18)(H2,16,19,20)/t9-,14-/m0/s1
InChIKeyRZEJYPXLXOFQNV-XPTSAGLGSA-N
XLogP2.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
5-bromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiophene-3-carboxamide
CID 103816737
5-bromo-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)thiophene-3-carboxamide
CID 61369497
2-chloro-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 3398398
N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]-5-sulfamoylthiophene-3-carboxamide
CID 95238811
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-iodothiophene-3-carboxamide
CID 114312765
N-[(1R)-5-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide
CID 167682226
N-(4-ethylcyclohexyl)-5-sulfamoylthiophene-3-carboxamide
CID 61244512
1-acetyl-N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-2,3-dihydroindole-5-carboxamide
CID 95620460
tert-butyl N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 163763965
tert-butyl N-[(1R,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142301737
N-[(1R,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 95318308

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide (CID 95621563) is N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide is C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1csc(S(N)(=O)=O)c1.
What is the InChIKey of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is RZEJYPXLXOFQNV-XPTSAGLGSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-9-6-10-4-2-3-5-12(10)14(9)17-15(18)11-7-13(21-8-11)22(16,19)20/h2-5,7-9,14H,6H2,1H3,(H,17,18)(H2,16,19,20)/t9-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide?
N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-methyl-2,3-dihydro-1H-inden-1-yl]-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 95621563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).