2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide

C15H24N4O4S — CID 139517092

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide
SMILESCN1C(=O)CN(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O
InChIInChI=1S/C15H24N4O4S/c1-18-14(22)8-19(15(18)23)6-5-16-12(20)9-24-10-13(21)17-7-11-3-2-4-11/h11H,2-10H2,1H3,(H,16,20)(H,17,21)
InChIKeySEDMWACGCPNWAP-UHFFFAOYSA-N
MW356.45 g/mol
LogP-0.35
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide (PubChem CID 139517092) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide
PubChem CID139517092
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide
SMILESCN1C(=O)CN(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O
InChIInChI=1S/C15H24N4O4S/c1-18-14(22)8-19(15(18)23)6-5-16-12(20)9-24-10-13(21)17-7-11-3-2-4-11/h11H,2-10H2,1H3,(H,16,20)(H,17,21)
InChIKeySEDMWACGCPNWAP-UHFFFAOYSA-N
XLogP-0.35
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide (CID 139517092) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide is CN1C(=O)CN(CCNC(=O)CSCC(=O)NCC2CCC2)C1=O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide?
The InChIKey is SEDMWACGCPNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-18-14(22)8-19(15(18)23)6-5-16-12(20)9-24-10-13(21)17-7-11-3-2-4-11/h11H,2-10H2,1H3,(H,16,20)(H,17,21).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide has a molecular weight of 356.45 g/mol, XLogP of -0.35, 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-(3-methyl-2,4-dioxoimidazolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139517092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).