tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate

C20H24N2O4S — CID 169370615

IUPACtert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-8-10-16(11-9-14)27(24,25)21-17-7-5-6-15-12-13-22(18(15)17)19(23)26-20(2,3)4/h5-11,21H,12-13H2,1-4H3
InChIKeyYDTQQUCSRKAOAE-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate

tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate (PubChem CID 169370615) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate
PubChem CID169370615
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Nametert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1
InChIInChI=1S/C20H24N2O4S/c1-14-8-10-16(11-9-14)27(24,25)21-17-7-5-6-15-12-13-22(18(15)17)19(23)26-20(2,3)4/h5-11,21H,12-13H2,1-4H3
InChIKeyYDTQQUCSRKAOAE-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[1-(2,3-Dihydroindol-1-yl)-1-oxopropan-2-yl]amino]methyl]benzenesulfonamide
CID 4869486
2-(N-Methyl1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonamido)-N-(3-methylphenyl)acetamide
CID 20901865
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,4-dimethylbenzenesulfonamide
CID 925199
tert-butyl 4-[4-({[(4-methylphenyl)sulfonyl]amino}methyl)phenyl]tetrahydro-1(2H)-pyrazinecarboxylate
CID 1481867
1-acetyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 5307734
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 25161538
tert-Butyl 7-amino-2,3-dihydro-1H-indole-1-carboxylate
CID 53249814
1-propanoyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 20851707
1-acetyl-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 20853157
N-[2-[[4-[(4-phenyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methylamino]ethyl]acetamide
CID 168286070
N-{2-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]ethyl}acetamide
CID 801888
4-[2-[[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl]amino]ethyl]benzenesulfonamide
CID 2455276

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate (CID 169370615) is tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate is Cc1ccc(S(=O)(=O)Nc2cccc3c2N(C(=O)OC(C)(C)C)CC3)cc1.
What is the InChIKey of tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate?
The InChIKey is YDTQQUCSRKAOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-14-8-10-16(11-9-14)27(24,25)21-17-7-5-6-15-12-13-22(18(15)17)19(23)26-20(2,3)4/h5-11,21H,12-13H2,1-4H3.
What are the key properties of tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate?
tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate has a molecular weight of 388.49 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 169370615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).