N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 55331657) has the molecular formula C23H36N4O3S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound Name	N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID	55331657
Molecular Formula	C23H36N4O3S
Molecular Weight	448.63 g/mol
Exact Mass	448.25
IUPAC Name	N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILES	CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC(c1cccs1)N(C)C)C2=O
InChI	InChI=1S/C23H36N4O3S/c1-6-22(2,3)16-9-11-23(12-10-16)20(29)27(21(30)25-23)15-19(28)24-14-17(26(4)5)18-8-7-13-31-18/h7-8,13,16-17H,6,9-12,14-15H2,1-5H3,(H,24,28)(H,25,30)
InChIKey	SHNPJQHQWWBSGY-UHFFFAOYSA-N
XLogP	3.38
TPSA	81.75 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.63
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 55331657) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC(c1cccs1)N(C)C)C2=O.

What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

The InChIKey is SHNPJQHQWWBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3S/c1-6-22(2,3)16-9-11-23(12-10-16)20(29)27(21(30)25-23)15-19(28)24-14-17(26(4)5)18-8-7-13-31-18/h7-8,13,16-17H,6,9-12,14-15H2,1-5H3,(H,24,28)(H,25,30).

What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 448.63 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 55331657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).