N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C23H22N2O3S — CID 8777596

IUPACN-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C23H22N2O3S/c1-29(27,28)25-15-14-19-16-20(12-13-21(19)25)23(26)24-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,22H,14-15H2,1H3,(H,24,26)
InChIKeyYLIHTFRBWWXNDM-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.53
Rot. Bonds5

About N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 8777596) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID8777596
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCS(=O)(=O)N1CCc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C23H22N2O3S/c1-29(27,28)25-15-14-19-16-20(12-13-21(19)25)23(26)24-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,22H,14-15H2,1H3,(H,24,26)
InChIKeyYLIHTFRBWWXNDM-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfonyl-N-[(4-propylphenyl)-thiophen-2-ylmethyl]-2,3-dihydroindole-5-carboxamide
CID 46548669
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
1-methylsulfonyl-N-phenylmethoxy-2,3-dihydroindole-5-carboxamide
CID 9227621
(2-amino-2-oxo-1-phenylethyl) 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 46691627
N-[(1S)-1-(4-chlorophenyl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40811861
1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 51960249
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
2-methyl-3-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]propanoic acid
CID 119237207
1-methylsulfonyl-N-(3-phenylprop-2-ynyl)-2,3-dihydroindole-5-carboxamide
CID 51325795
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55595616
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 46528319

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 8777596) is N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CS(=O)(=O)N1CCc2cc(C(=O)NC(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is YLIHTFRBWWXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-29(27,28)25-15-14-19-16-20(12-13-21(19)25)23(26)24-22(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-13,16,22H,14-15H2,1H3,(H,24,26).
What are the key properties of N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 8777596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).