2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide

C27H23ClN2O3S2 — CID 59943857

IUPAC2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
SMILESCc1ccc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1
InChIInChI=1S/C27H23ClN2O3S2/c1-17-4-11-24(18-5-8-21(28)9-6-18)25(13-17)27(31)29-22-10-7-19-14-23(16-20(19)15-22)30-35(32,33)26-3-2-12-34-26/h2-13,15,23,30H,14,16H2,1H3,(H,29,31)
InChIKeyDKYKJEAOTNKBKI-UHFFFAOYSA-N
MW523.08 g/mol
LogP6.07
Rot. Bonds6

About 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide

2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide (PubChem CID 59943857) has the molecular formula C27H23ClN2O3S2 and a molecular weight of 523.08 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
PubChem CID59943857
Molecular FormulaC27H23ClN2O3S2
Molecular Weight523.08 g/mol
Exact Mass522.08
IUPAC Name2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide
SMILESCc1ccc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1
InChIInChI=1S/C27H23ClN2O3S2/c1-17-4-11-24(18-5-8-21(28)9-6-18)25(13-17)27(31)29-22-10-7-19-14-23(16-20(19)15-22)30-35(32,33)26-3-2-12-34-26/h2-13,15,23,30H,14,16H2,1H3,(H,29,31)
InChIKeyDKYKJEAOTNKBKI-UHFFFAOYSA-N
XLogP6.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.08
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide with MolForge

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Related Compounds

methyl N-[(2R)-5-[[2-(4-chlorophenyl)-5-methylbenzoyl]amino]-2,3-dihydro-1H-inden-2-yl]carbamate
CID 59943754
5-chloro-N-[2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943897
N-[(2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-2-(4-chlorophenyl)-3-methylbenzamide
CID 101154632
N-[(2R)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-(4-methylphenyl)benzamide
CID 101154629
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
N-[2-(cyclohexylsulfamoylamino)-2,3-dihydro-1H-inden-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 58002843
N-[2-[(4-fluorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
CID 59943905
ethane;2-phenyl-N-[(1R,10S,13R)-13-(thiophen-2-ylsulfonylamino)-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]acetamide
CID 159627381
5-(cyclopropylsulfamoyl)-N-(9H-fluoren-2-yl)-2-methylbenzamide
CID 34074950
2-chloro-N-(4-chlorophenyl)-5-methylbenzamide
CID 122630204
5-methyl-2-(thiophen-2-ylsulfonylamino)benzoic acid
CID 24693144
2-[4-(1,1-difluoroethyl)phenyl]-N-[(2R)-2-(methanesulfonamido)-2,3-dihydro-1H-inden-5-yl]-3-methylbenzamide
CID 59943799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide?
The IUPAC name of 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide (CID 59943857) is 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide.
What is the SMILES notation for 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide?
The canonical SMILES for 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide is Cc1ccc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc3c(c2)CC(NS(=O)(=O)c2cccs2)C3)c1.
What is the InChIKey of 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide?
The InChIKey is DKYKJEAOTNKBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O3S2/c1-17-4-11-24(18-5-8-21(28)9-6-18)25(13-17)27(31)29-22-10-7-19-14-23(16-20(19)15-22)30-35(32,33)26-3-2-12-34-26/h2-13,15,23,30H,14,16H2,1H3,(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide?
2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide has a molecular weight of 523.08 g/mol, XLogP of 6.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-methyl-N-[2-(thiophen-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]benzamide is sourced from PubChem (CID 59943857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).