2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide

C16H25N3O4S — CID 167261492

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O
InChIInChI=1S/C16H25N3O4S/c1-11-7-15(22)19(16(11)23)6-5-17-13(20)9-24-10-14(21)18-8-12-3-2-4-12/h11-12H,2-10H2,1H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyRHUFMOIFVTXPHG-NSHDSACASA-N
MW355.46 g/mol
LogP0.15
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide (PubChem CID 167261492) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
PubChem CID167261492
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O
InChIInChI=1S/C16H25N3O4S/c1-11-7-15(22)19(16(11)23)6-5-17-13(20)9-24-10-14(21)18-8-12-3-2-4-12/h11-12H,2-10H2,1H3,(H,17,20)(H,18,21)/t11-/m0/s1
InChIKeyRHUFMOIFVTXPHG-NSHDSACASA-N
XLogP0.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide (CID 167261492) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide is C[C@H]1CC(=O)N(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide?
The InChIKey is RHUFMOIFVTXPHG-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-11-7-15(22)19(16(11)23)6-5-17-13(20)9-24-10-14(21)18-8-12-3-2-4-12/h11-12H,2-10H2,1H3,(H,17,20)(H,18,21)/t11-/m0/s1.
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167261492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).