5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide

C61H76N8O8S4 — CID 10820158

IUPAC5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide
SMILESCCN(CCCN(C[14CH2]CN(CCCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C61H76N8O8S4/c1-11-66(78(70,71)58-36-17-24-46-50(58)28-13-32-54(46)62(3)4)40-21-42-68(80(74,75)60-38-19-26-48-52(60)30-15-34-56(48)64(7)8)44-23-45-69(81(76,77)61-39-20-27-49-53(61)31-16-35-57(49)65(9)10)43-22-41-67(12-2)79(72,73)59-37-18-25-47-51(59)29-14-33-55(47)63(5)6/h13-20,24-39H,11-12,21-23,40-45H2,1-10H3/i23+2
InChIKeyKEEHSTPGPBBQRD-DQBITZTASA-N
MW1179.59 g/mol
LogP9.84
Rot. Bonds26

About 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide

5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide (PubChem CID 10820158) has the molecular formula C61H76N8O8S4 and a molecular weight of 1179.59 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide
PubChem CID10820158
Molecular FormulaC61H76N8O8S4
Molecular Weight1179.59 g/mol
Exact Mass1178.47
IUPAC Name5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide
SMILESCCN(CCCN(C[14CH2]CN(CCCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C61H76N8O8S4/c1-11-66(78(70,71)58-36-17-24-46-50(58)28-13-32-54(46)62(3)4)40-21-42-68(80(74,75)60-38-19-26-48-52(60)30-15-34-56(48)64(7)8)44-23-45-69(81(76,77)61-39-20-27-49-53(61)31-16-35-57(49)65(9)10)43-22-41-67(12-2)79(72,73)59-37-18-25-47-51(59)29-14-33-55(47)63(5)6/h13-20,24-39H,11-12,21-23,40-45H2,1-10H3/i23+2
InChIKeyKEEHSTPGPBBQRD-DQBITZTASA-N
XLogP9.84
TPSA162.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001179.59
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide (CID 10820158) is 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide is CCN(CCCN(C[14CH2]CN(CCCN(CC)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12)S(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide?
The InChIKey is KEEHSTPGPBBQRD-DQBITZTASA-N. The full InChI is InChI=1S/C61H76N8O8S4/c1-11-66(78(70,71)58-36-17-24-46-50(58)28-13-32-54(46)62(3)4)40-21-42-68(80(74,75)60-38-19-26-48-52(60)30-15-34-56(48)64(7)8)44-23-45-69(81(76,77)61-39-20-27-49-53(61)31-16-35-57(49)65(9)10)43-22-41-67(12-2)79(72,73)59-37-18-25-47-51(59)29-14-33-55(47)63(5)6/h13-20,24-39H,11-12,21-23,40-45H2,1-10H3/i23+2.
What are the key properties of 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide?
5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide has a molecular weight of 1179.59 g/mol, XLogP of 9.84, 26 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide is sourced from PubChem (CID 10820158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).