N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide

C17H29N3O3S — CID 58875518

IUPACN-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCSCC(CC(C)NC(C)=O)N1CCCC1=O
InChIInChI=1S/C17H29N3O3S/c1-12(2)17(23)18-7-9-24-11-15(10-13(3)19-14(4)21)20-8-5-6-16(20)22/h13,15H,1,5-11H2,2-4H3,(H,18,23)(H,19,21)
InChIKeyGKJYTYPSBPVGEJ-UHFFFAOYSA-N
MW355.50 g/mol
LogP1.32
Rot. Bonds10

About N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide

N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide (PubChem CID 58875518) has the molecular formula C17H29N3O3S and a molecular weight of 355.50 g/mol. Its IUPAC name is N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide
PubChem CID58875518
Molecular FormulaC17H29N3O3S
Molecular Weight355.50 g/mol
Exact Mass355.19
IUPAC NameN-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCSCC(CC(C)NC(C)=O)N1CCCC1=O
InChIInChI=1S/C17H29N3O3S/c1-12(2)17(23)18-7-9-24-11-15(10-13(3)19-14(4)21)20-8-5-6-16(20)22/h13,15H,1,5-11H2,2-4H3,(H,18,23)(H,19,21)
InChIKeyGKJYTYPSBPVGEJ-UHFFFAOYSA-N
XLogP1.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-4-ethenylbenzamide
CID 58875500
2-prop-2-enoyloxyethyl 3-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylpropanoate
CID 58875512
N-[3-(dimethylamino)-3-(2-oxopyrrolidin-1-yl)propyl]-2-methylprop-2-enamide
CID 174556162
2-[3-[4-formamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylpropanoylamino]ethyl 2-methylprop-2-enoate
CID 58875509
N-[3-(dimethylamino)-3-(2-oxoazepan-1-yl)propyl]-2-methylprop-2-enamide
CID 174817530
N-[6-(2-oxoazepan-1-yl)heptan-2-yl]acetamide
CID 134507504
1-(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxyethyl 5-(2-methylprop-2-enoylamino)pentanoate
CID 90373535
methyl acetate;1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 145448652
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
N-(2-bromoprop-2-enyl)-4-methyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 75425497
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide (CID 58875518) is N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCSCC(CC(C)NC(C)=O)N1CCCC1=O.
What is the InChIKey of N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide?
The InChIKey is GKJYTYPSBPVGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3S/c1-12(2)17(23)18-7-9-24-11-15(10-13(3)19-14(4)21)20-8-5-6-16(20)22/h13,15H,1,5-11H2,2-4H3,(H,18,23)(H,19,21).
What are the key properties of N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide?
N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide has a molecular weight of 355.50 g/mol, XLogP of 1.32, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-acetamido-2-(2-oxopyrrolidin-1-yl)pentyl]sulfanylethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 58875518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).