3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate

C20H20ClN2O5S- — CID 19776949

IUPAC3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate
SMILESCC(=O)N(CCC(=O)[O-])c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C20H21ClN2O5S/c1-13(24)23(9-8-20(25)26)18-5-2-14-10-17(11-15(14)12-18)22-29(27,28)19-6-3-16(21)4-7-19/h2-7,12,17,22H,8-11H2,1H3,(H,25,26)/p-1
InChIKeyCDPPCMBOPBWYON-UHFFFAOYSA-M
MW435.91 g/mol
LogP1.28
Rot. Bonds7

About 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate

3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate (PubChem CID 19776949) has the molecular formula C20H20ClN2O5S- and a molecular weight of 435.91 g/mol. Its IUPAC name is 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate.

Molecular Properties

Compound Name3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate
PubChem CID19776949
Molecular FormulaC20H20ClN2O5S-
Molecular Weight435.91 g/mol
Exact Mass435.08
IUPAC Name3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate
SMILESCC(=O)N(CCC(=O)[O-])c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2
InChIInChI=1S/C20H21ClN2O5S/c1-13(24)23(9-8-20(25)26)18-5-2-14-10-17(11-15(14)12-18)22-29(27,28)19-6-3-16(21)4-7-19/h2-7,12,17,22H,8-11H2,1H3,(H,25,26)/p-1
InChIKeyCDPPCMBOPBWYON-UHFFFAOYSA-M
XLogP1.28
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoate
CID 23685652
4-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-4-oxobutanoic acid
CID 3087365
sodium 4-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetyl]amino]butanoate
CID 23712405
sodium;2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]acetic acid;hydride
CID 173388664
3-[[2-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]acetyl]amino]propanoic acid
CID 14883964
3-[[2-[[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]oxy]acetyl]amino]propanoic acid
CID 15078407
sodium 4-[[2-[6-[(4-chlorophenyl)sulfonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetyl]amino]butanoate
CID 67937538
4-chloro-N-[5-(pyridine-3-carbonyl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 10364382
sodium 2-[[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]oxy]acetate
CID 23685647
3-(3-chloro-4,5-dihydroxyphenyl)-N-[4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)phenyl]-N-methylprop-2-enamide
CID 54253372
methyl 4-[(4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylate
CID 115617309
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate?
The IUPAC name of 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate (CID 19776949) is 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate.
What is the SMILES notation for 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate?
The canonical SMILES for 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate is CC(=O)N(CCC(=O)[O-])c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C2.
What is the InChIKey of 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate?
The InChIKey is CDPPCMBOPBWYON-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21ClN2O5S/c1-13(24)23(9-8-20(25)26)18-5-2-14-10-17(11-15(14)12-18)22-29(27,28)19-6-3-16(21)4-7-19/h2-7,12,17,22H,8-11H2,1H3,(H,25,26)/p-1.
What are the key properties of 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate?
3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate has a molecular weight of 435.91 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-[(4-chlorophenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]amino]propanoate is sourced from PubChem (CID 19776949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).