N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide

C21H19NO3S2 — CID 135309703

IUPACN-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(-c3ccsc3)cccc21
InChIInChI=1S/C21H19NO3S2/c1-14-5-2-3-8-20(14)27(24,25)22-21(23)19-10-9-18-16(6-4-7-17(18)19)15-11-12-26-13-15/h2-8,11-13,19H,9-10H2,1H3,(H,22,23)
InChIKeyLADUMRMETDYVJQ-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.26
Rot. Bonds4

About N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide

N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309703) has the molecular formula C21H19NO3S2 and a molecular weight of 397.52 g/mol. Its IUPAC name is N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309703
Molecular FormulaC21H19NO3S2
Molecular Weight397.52 g/mol
Exact Mass397.08
IUPAC NameN-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(-c3ccsc3)cccc21
InChIInChI=1S/C21H19NO3S2/c1-14-5-2-3-8-20(14)27(24,25)22-21(23)19-10-9-18-16(6-4-7-17(18)19)15-11-12-26-13-15/h2-8,11-13,19H,9-10H2,1H3,(H,22,23)
InChIKeyLADUMRMETDYVJQ-UHFFFAOYSA-N
XLogP4.26
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309703) is N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide is Cc1ccccc1S(=O)(=O)NC(=O)C1CCc2c(-c3ccsc3)cccc21.
What is the InChIKey of N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is LADUMRMETDYVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S2/c1-14-5-2-3-8-20(14)27(24,25)22-21(23)19-10-9-18-16(6-4-7-17(18)19)15-11-12-26-13-15/h2-8,11-13,19H,9-10H2,1H3,(H,22,23).
What are the key properties of N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide?
N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)sulfonyl-4-thiophen-3-yl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).