azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane

C93H204N8O10S3 — CID 160539667

IUPACazane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)n1ccc2ccccc21.CC(=O)n1ccc2ccccc21.CCC.CCC.CCC.CCC.CS(N)(=O)=O.CS(N)(=O)=O.CS(N)(=O)=O.N.O=C(O)Cn1ccc2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9NO2.2C10H9NO.C8H7N.4C3H8.20C2H6.3CH5NO2S.H3N/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;2*1-8(12)11-7-6-9-4-2-3-5-10(9)11;1-2-4-8-7(3-1)5-6-9-8;4*1-3-2;20*1-2;3*1-5(2,3)4;/h1-6H,7H2,(H,12,13);2*2-7H,1H3;1-6,9H;4*3H2,1-2H3;20*1-2H3;3*1H3,(H2,2,3,4);1H3
InChIKeyVMACVFRBDQXFSF-UHFFFAOYSA-N
MW1690.90 g/mol
LogP31.56
Rot. Bonds2

About azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane

azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane (PubChem CID 160539667) has the molecular formula C93H204N8O10S3 and a molecular weight of 1690.90 g/mol. Its IUPAC name is azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane.

Molecular Properties

Compound Nameazane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane
PubChem CID160539667
Molecular FormulaC93H204N8O10S3
Molecular Weight1690.90 g/mol
Exact Mass1689.49
IUPAC Nameazane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)n1ccc2ccccc21.CC(=O)n1ccc2ccccc21.CCC.CCC.CCC.CCC.CS(N)(=O)=O.CS(N)(=O)=O.CS(N)(=O)=O.N.O=C(O)Cn1ccc2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C10H9NO2.2C10H9NO.C8H7N.4C3H8.20C2H6.3CH5NO2S.H3N/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;2*1-8(12)11-7-6-9-4-2-3-5-10(9)11;1-2-4-8-7(3-1)5-6-9-8;4*1-3-2;20*1-2;3*1-5(2,3)4;/h1-6H,7H2,(H,12,13);2*2-7H,1H3;1-6,9H;4*3H2,1-2H3;20*1-2H3;3*1H3,(H2,2,3,4);1H3
InChIKeyVMACVFRBDQXFSF-UHFFFAOYSA-N
XLogP31.56
TPSA317.50 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001690.90
LogP ≤ 531.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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Related Compounds

ethane;2-indol-1-ylacetic acid;methanesulfonamide
CID 90844595
tert-butyl 2-indol-1-ylacetate;1H-indole;2-indol-1-ylacetic acid;methane
CID 158169250
2-aminoacetic acid;1H-indole
CID 118109552
1-indol-1-ylethanone;hydrochloride
CID 21333501
acetic acid;1H-indole
CID 67663544
(2-indol-1-ylacetyl)-methylsulfonylazanide;rubidium(1+)
CID 173480777
carbamic acid;1H-indole
CID 66672708
butanoic acid;1H-indole;propanoic acid
CID 135353070
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
2-[(2-indol-1-ylacetyl)-propylamino]acetic acid
CID 119205326
1-(4-acetyl-1,4-diazepan-1-yl)-2-indol-1-ylethanone
CID 56817791
bis(1H-indole);methanol
CID 70305490

Frequently Asked Questions

What is the IUPAC name of azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane?
The IUPAC name of azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane (CID 160539667) is azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane.
What is the SMILES notation for azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane?
The canonical SMILES for azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(=O)n1ccc2ccccc21.CC(=O)n1ccc2ccccc21.CCC.CCC.CCC.CCC.CS(N)(=O)=O.CS(N)(=O)=O.CS(N)(=O)=O.N.O=C(O)Cn1ccc2ccccc21.c1ccc2[nH]ccc2c1.
What is the InChIKey of azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane?
The InChIKey is VMACVFRBDQXFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.2C10H9NO.C8H7N.4C3H8.20C2H6.3CH5NO2S.H3N/c12-10(13)7-11-6-5-8-3-1-2-4-9(8)11;2*1-8(12)11-7-6-9-4-2-3-5-10(9)11;1-2-4-8-7(3-1)5-6-9-8;4*1-3-2;20*1-2;3*1-5(2,3)4;/h1-6H,7H2,(H,12,13);2*2-7H,1H3;1-6,9H;4*3H2,1-2H3;20*1-2H3;3*1H3,(H2,2,3,4);1H3.
What are the key properties of azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane?
azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane has a molecular weight of 1690.90 g/mol, XLogP of 31.56, 2 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethane;1H-indole;2-indol-1-ylacetic acid;bis(1-indol-1-ylethanone);methanesulfonamide;propane is sourced from PubChem (CID 160539667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).