N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide

C25H40N4O12S4 — CID 22751696

IUPACN-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide
SMILESC=CS(=O)(=O)N(C(=O)CC)C(CCCC(N(C(=O)CC)S(=O)(=O)C=C)N(C(=O)CC)S(=O)(=O)C=C)N(C(=O)CC)S(=O)(=O)C=C
InChIInChI=1S/C25H40N4O12S4/c1-9-22(30)26(42(34,35)13-5)20(27(23(31)10-2)43(36,37)14-6)18-17-19-21(28(24(32)11-3)44(38,39)15-7)29(25(33)12-4)45(40,41)16-8/h13-16,20-21H,5-12,17-19H2,1-4H3
InChIKeyFFTLKRZBEGOSGL-UHFFFAOYSA-N
MW716.88 g/mol
LogP1.66
Rot. Bonds20

About N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide

N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide (PubChem CID 22751696) has the molecular formula C25H40N4O12S4 and a molecular weight of 716.88 g/mol. Its IUPAC name is N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide.

Molecular Properties

Compound NameN-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide
PubChem CID22751696
Molecular FormulaC25H40N4O12S4
Molecular Weight716.88 g/mol
Exact Mass716.15
IUPAC NameN-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide
SMILESC=CS(=O)(=O)N(C(=O)CC)C(CCCC(N(C(=O)CC)S(=O)(=O)C=C)N(C(=O)CC)S(=O)(=O)C=C)N(C(=O)CC)S(=O)(=O)C=C
InChIInChI=1S/C25H40N4O12S4/c1-9-22(30)26(42(34,35)13-5)20(27(23(31)10-2)43(36,37)14-6)18-17-19-21(28(24(32)11-3)44(38,39)15-7)29(25(33)12-4)45(40,41)16-8/h13-16,20-21H,5-12,17-19H2,1-4H3
InChIKeyFFTLKRZBEGOSGL-UHFFFAOYSA-N
XLogP1.66
TPSA217.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[ethenylsulfonyl(ethyl)amino]-N,N-dimethylacetamide
CID 167818857
ethenylsulfonyl propanoate
CID 174963868
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CID 22164671
1-ethenylsulfonyl-3-methylnonan-2-one
CID 166735766
2-ethenylsulfonylbutanal
CID 173386551
N-ethenyl-N-propan-2-yldecanamide
CID 87389049
N-formyl-N-hydroxypropanamide
CID 88931883
2-butylhexanoic acid;N,N-dimethylformamide
CID 19350390
N-methyl-N-pent-4-enylpropanamide
CID 115640317
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
N-but-1-en-2-yl-N-methylpropanamide
CID 59841328
N,N-dibutylbutan-1-amine;ethenesulfonic acid
CID 87668144

Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide?
The IUPAC name of N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide (CID 22751696) is N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide.
What is the SMILES notation for N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide?
The canonical SMILES for N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide is C=CS(=O)(=O)N(C(=O)CC)C(CCCC(N(C(=O)CC)S(=O)(=O)C=C)N(C(=O)CC)S(=O)(=O)C=C)N(C(=O)CC)S(=O)(=O)C=C.
What is the InChIKey of N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide?
The InChIKey is FFTLKRZBEGOSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O12S4/c1-9-22(30)26(42(34,35)13-5)20(27(23(31)10-2)43(36,37)14-6)18-17-19-21(28(24(32)11-3)44(38,39)15-7)29(25(33)12-4)45(40,41)16-8/h13-16,20-21H,5-12,17-19H2,1-4H3.
What are the key properties of N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide?
N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide has a molecular weight of 716.88 g/mol, XLogP of 1.66, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfonyl-N-[1,5,5-tris[ethenylsulfonyl(propanoyl)amino]pentyl]propanamide is sourced from PubChem (CID 22751696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).