2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide

C18H28N2O11S4 — CID 88713858

IUPAC2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCC(NC(=O)CS(=O)(=O)C=C)C(CS(=O)(=O)C=C)C(O)S(=O)(=O)C=C
InChIInChI=1S/C18H28N2O11S4/c1-5-32(24,25)11-14(18(23)35(30,31)8-4)15(20-17(22)13-34(28,29)7-3)9-10-19-16(21)12-33(26,27)6-2/h5-8,14-15,18,23H,1-4,9-13H2,(H,19,21)(H,20,22)
InChIKeyVOHKJNOWJMGVIK-UHFFFAOYSA-N
MW576.69 g/mol
LogP-1.85
Rot. Bonds17

About 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide

2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide (PubChem CID 88713858) has the molecular formula C18H28N2O11S4 and a molecular weight of 576.69 g/mol. Its IUPAC name is 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide.

Molecular Properties

Compound Name2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide
PubChem CID88713858
Molecular FormulaC18H28N2O11S4
Molecular Weight576.69 g/mol
Exact Mass576.06
IUPAC Name2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide
SMILESC=CS(=O)(=O)CC(=O)NCCC(NC(=O)CS(=O)(=O)C=C)C(CS(=O)(=O)C=C)C(O)S(=O)(=O)C=C
InChIInChI=1S/C18H28N2O11S4/c1-5-32(24,25)11-14(18(23)35(30,31)8-4)15(20-17(22)13-34(28,29)7-3)9-10-19-16(21)12-33(26,27)6-2/h5-8,14-15,18,23H,1-4,9-13H2,(H,19,21)(H,20,22)
InChIKeyVOHKJNOWJMGVIK-UHFFFAOYSA-N
XLogP-1.85
TPSA214.99 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.69
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Related Compounds

2-ethenylsulfonyl-N-[2-[(2-ethenylsulfonylacetyl)amino]ethyl]acetamide
CID 551576
2-ethenylsulfonyl-N-[2-(ethenylsulfonylcarbonylamino)ethyl]acetamide
CID 118968619
(2R)-3-ethenylsulfonyl-2-methylpropanamide
CID 6950445
N-[(3S)-3-methylpent-4-enyl]propanamide
CID 138511725
1-ethenylsulfonyl-3-methylnonan-2-one
CID 166735766
bis(ethenylsulfonyl)methanol
CID 87959265
sodium;N-[2-(2-ethenylsulfonylethylsulfanyl)ethyl]propanamide;propanoate
CID 165030034
2-ethenylsulfonylethyl N-(2-aminoethyl)carbamate
CID 58003244
1,2-bis(ethenylsulfonyl)-2-(ethylamino)ethanone
CID 141157491
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
5-bromo-N-(3-hydroxybutyl)pentanamide
CID 107910185
(2S)-N,N'-dibutyl-2-(octanoylamino)pentanediamide
CID 71362769

Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide?
The IUPAC name of 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide (CID 88713858) is 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide.
What is the SMILES notation for 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide?
The canonical SMILES for 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide is C=CS(=O)(=O)CC(=O)NCCC(NC(=O)CS(=O)(=O)C=C)C(CS(=O)(=O)C=C)C(O)S(=O)(=O)C=C.
What is the InChIKey of 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide?
The InChIKey is VOHKJNOWJMGVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O11S4/c1-5-32(24,25)11-14(18(23)35(30,31)8-4)15(20-17(22)13-34(28,29)7-3)9-10-19-16(21)12-33(26,27)6-2/h5-8,14-15,18,23H,1-4,9-13H2,(H,19,21)(H,20,22).
What are the key properties of 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide?
2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide has a molecular weight of 576.69 g/mol, XLogP of -1.85, 17 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfonyl-N-[5-ethenylsulfonyl-3-[(2-ethenylsulfonylacetyl)amino]-4-(ethenylsulfonylmethyl)-5-hydroxypentyl]acetamide is sourced from PubChem (CID 88713858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).