2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide

C16H26N4O4S — CID 139516958

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
SMILESCC1(C)NC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C16H26N4O4S/c1-16(2)14(23)20(15(24)19-16)8-7-17-12(21)9-25-10-13(22)18-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,24)
InChIKeyXPFZLZPAKCYSSG-UHFFFAOYSA-N
MW370.48 g/mol
LogP0.22
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide (PubChem CID 139516958) has the molecular formula C16H26N4O4S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
PubChem CID139516958
Molecular FormulaC16H26N4O4S
Molecular Weight370.48 g/mol
Exact Mass370.17
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
SMILESCC1(C)NC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C16H26N4O4S/c1-16(2)14(23)20(15(24)19-16)8-7-17-12(21)9-25-10-13(22)18-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,24)
InChIKeyXPFZLZPAKCYSSG-UHFFFAOYSA-N
XLogP0.22
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 50.22
H-Bond Donors ≤ 53
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-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide (CID 139516958) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide is CC1(C)NC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide?
The InChIKey is XPFZLZPAKCYSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4S/c1-16(2)14(23)20(15(24)19-16)8-7-17-12(21)9-25-10-13(22)18-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,24).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 0.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139516958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).