tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate

C26H24Cl2N2O5S2 — CID 59277345

IUPACtert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(-n2ccc3cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)s1
InChIInChI=1S/C26H24Cl2N2O5S2/c1-16(31)23-7-8-24(36-23)29-10-9-17-11-20(5-6-22(17)29)30(15-25(32)35-26(2,3)4)37(33,34)21-13-18(27)12-19(28)14-21/h5-14H,15H2,1-4H3
InChIKeyBGRHOBAJBXXUCE-UHFFFAOYSA-N
MW579.53 g/mol
LogP6.74
Rot. Bonds7

About tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate

tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate (PubChem CID 59277345) has the molecular formula C26H24Cl2N2O5S2 and a molecular weight of 579.53 g/mol. Its IUPAC name is tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
PubChem CID59277345
Molecular FormulaC26H24Cl2N2O5S2
Molecular Weight579.53 g/mol
Exact Mass578.05
IUPAC Nametert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
SMILESCC(=O)c1ccc(-n2ccc3cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)s1
InChIInChI=1S/C26H24Cl2N2O5S2/c1-16(31)23-7-8-24(36-23)29-10-9-17-11-20(5-6-22(17)29)30(15-25(32)35-26(2,3)4)37(33,34)21-13-18(27)12-19(28)14-21/h5-14H,15H2,1-4H3
InChIKeyBGRHOBAJBXXUCE-UHFFFAOYSA-N
XLogP6.74
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.53
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(1-methylpyrazol-4-yl)indol-5-yl]amino]acetate
CID 59276783
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-(hydroxymethyl)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 70899108
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(6-oxo-1H-pyridazin-3-yl)indol-5-yl]amino]acetate
CID 59276804
tert-butyl 2-[[1-[6-[(2-amino-2-methylpropyl)amino]pyridazin-3-yl]indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 59276923
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(4-methylsulfinyl-2-pyridinyl)indol-5-yl]amino]acetate
CID 59277114
tert-butyl 4-[6-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazin-2-yl]piperazine-1-carboxylate
CID 59277456
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[5-(trifluoromethyl)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 59277006
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-(2-methylprop-2-enylamino)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 89248781
tert-butyl 2-[[1-(3-cyano-2-pyridinyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 59277161
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-[6-(3-hydroxyprop-1-ynyl)pyridazin-3-yl]indol-5-yl]amino]acetate
CID 59277164
tert-butyl 2-[(3,5-dichlorophenyl)sulfonyl-[1-(4-morpholin-4-yl-2-pyridinyl)indol-5-yl]amino]acetate
CID 59277353
tert-butyl 4-[5-[5-[(3,5-dichlorophenyl)sulfonyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]indol-1-yl]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 59277392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate?
The IUPAC name of tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate (CID 59277345) is tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate?
The canonical SMILES for tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate is CC(=O)c1ccc(-n2ccc3cc(N(CC(=O)OC(C)(C)C)S(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)s1.
What is the InChIKey of tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate?
The InChIKey is BGRHOBAJBXXUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N2O5S2/c1-16(31)23-7-8-24(36-23)29-10-9-17-11-20(5-6-22(17)29)30(15-25(32)35-26(2,3)4)37(33,34)21-13-18(27)12-19(28)14-21/h5-14H,15H2,1-4H3.
What are the key properties of tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate?
tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate has a molecular weight of 579.53 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[1-(5-acetylthiophen-2-yl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]acetate is sourced from PubChem (CID 59277345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).