N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide

C15H23NO7S — CID 108796375

IUPACN-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C15H23NO7S/c1-16(7-10(19)14(22)15(23)11(20)8-17)13(21)5-4-9(18)12-3-2-6-24-12/h2-3,6,10-11,14-15,17,19-20,22-23H,4-5,7-8H2,1H3
InChIKeySUQIZJPIPUFVCY-UHFFFAOYSA-N
MW361.42 g/mol
LogP-1.39
Rot. Bonds10

About N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide

N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide (PubChem CID 108796375) has the molecular formula C15H23NO7S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
PubChem CID108796375
Molecular FormulaC15H23NO7S
Molecular Weight361.42 g/mol
Exact Mass361.12
IUPAC NameN-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide
SMILESCN(CC(O)C(O)C(O)C(O)CO)C(=O)CCC(=O)c1cccs1
InChIInChI=1S/C15H23NO7S/c1-16(7-10(19)14(22)15(23)11(20)8-17)13(21)5-4-9(18)12-3-2-6-24-12/h2-3,6,10-11,14-15,17,19-20,22-23H,4-5,7-8H2,1H3
InChIKeySUQIZJPIPUFVCY-UHFFFAOYSA-N
XLogP-1.39
TPSA138.53 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide with MolForge

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
N-(2-cyanoethyl)-N-methyl-4,7-dioxo-7-thiophen-2-ylheptanamide
CID 60609811
N-methyl-N-[(2-methylphenyl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 78781706
N-methyl-4-oxo-N-phenyl-4-thiophen-2-ylbutanamide
CID 94102437
N-[(2-chlorophenyl)methyl]-N-methyl-4-oxo-4-thiophen-2-ylbutanamide
CID 78768555
1-thiophen-2-ylpentane-1,4-dione
CID 2741853
N-butyl-N-methyl-5-oxo-5-thiophen-2-ylpentanamide
CID 110298043
2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073
N-methyl-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamide
CID 95566078
N-methyl-N-[(2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]nonanamide
CID 98049415
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide?
The IUPAC name of N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide (CID 108796375) is N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide is CN(CC(O)C(O)C(O)C(O)CO)C(=O)CCC(=O)c1cccs1.
What is the InChIKey of N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide?
The InChIKey is SUQIZJPIPUFVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO7S/c1-16(7-10(19)14(22)15(23)11(20)8-17)13(21)5-4-9(18)12-3-2-6-24-12/h2-3,6,10-11,14-15,17,19-20,22-23H,4-5,7-8H2,1H3.
What are the key properties of N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide?
N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide has a molecular weight of 361.42 g/mol, XLogP of -1.39, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-(2,3,4,5,6-pentahydroxyhexyl)-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 108796375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).