N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

About N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 24980733) has the molecular formula C25H37N5O6S and a molecular weight of 535.67 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name	N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID	24980733
Molecular Formula	C25H37N5O6S
Molecular Weight	535.67 g/mol
Exact Mass	535.25
IUPAC Name	N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILES	CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O
InChI	InChI=1S/C25H37N5O6S/c1-4-28(5-2)21-7-6-19(37(34,35)29-12-14-36-15-13-29)16-20(21)26-22(31)17-30-23(32)25(27-24(30)33)10-8-18(3)9-11-25/h6-7,16,18H,4-5,8-15,17H2,1-3H3,(H,26,31)(H,27,33)
InChIKey	GMTDGOBWTSISKK-UHFFFAOYSA-N
XLogP	1.99
TPSA	128.36 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	8
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.67
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 24980733) is N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O.

What is the InChIKey of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is GMTDGOBWTSISKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O6S/c1-4-28(5-2)21-7-6-19(37(34,35)29-12-14-36-15-13-29)16-20(21)26-22(31)17-30-23(32)25(27-24(30)33)10-8-18(3)9-11-25/h6-7,16,18H,4-5,8-15,17H2,1-3H3,(H,26,31)(H,27,33).

What are the key properties of N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 535.67 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 24980733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).