N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide

C12H24N2O6S — CID 139727224

IUPACN-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)CS(=O)(=O)CC(O)CCNC(C)=O
InChIInChI=1S/C12H24N2O6S/c1-9(15)13-5-3-11(17)7-21(19,20)8-12(18)4-6-14-10(2)16/h11-12,17-18H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVCRFJFCIUBEUHO-UHFFFAOYSA-N
MW324.40 g/mol
LogP-1.82
Rot. Bonds10

About N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide

N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide (PubChem CID 139727224) has the molecular formula C12H24N2O6S and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
PubChem CID139727224
Molecular FormulaC12H24N2O6S
Molecular Weight324.40 g/mol
Exact Mass324.14
IUPAC NameN-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)CS(=O)(=O)CC(O)CCNC(C)=O
InChIInChI=1S/C12H24N2O6S/c1-9(15)13-5-3-11(17)7-21(19,20)8-12(18)4-6-14-10(2)16/h11-12,17-18H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVCRFJFCIUBEUHO-UHFFFAOYSA-N
XLogP-1.82
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 5-1.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide?
The IUPAC name of N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide (CID 139727224) is N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide?
The canonical SMILES for N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide is CC(=O)NCCC(O)CS(=O)(=O)CC(O)CCNC(C)=O.
What is the InChIKey of N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide?
The InChIKey is VCRFJFCIUBEUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6S/c1-9(15)13-5-3-11(17)7-21(19,20)8-12(18)4-6-14-10(2)16/h11-12,17-18H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide?
N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide has a molecular weight of 324.40 g/mol, XLogP of -1.82, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamido-2-hydroxybutyl)sulfonyl-3-hydroxybutyl]acetamide is sourced from PubChem (CID 139727224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).