2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide

C26H40N4O4S — CID 130200468

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C26H40N4O4S/c1-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(31)27-16-17-35(3,33)34)24(32)30(25)18-21-8-7-9-21/h4-6,10-11,21H,7-9,12-20H2,1-3H3,(H,27,31)
InChIKeyYCVRKJCDGYHGNO-UHFFFAOYSA-N
MW504.70 g/mol
LogP2.45
Rot. Bonds9

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide (PubChem CID 130200468) has the molecular formula C26H40N4O4S and a molecular weight of 504.70 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide
PubChem CID130200468
Molecular FormulaC26H40N4O4S
Molecular Weight504.70 g/mol
Exact Mass504.28
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C26H40N4O4S/c1-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(31)27-16-17-35(3,33)34)24(32)30(25)18-21-8-7-9-21/h4-6,10-11,21H,7-9,12-20H2,1-3H3,(H,27,31)
InChIKeyYCVRKJCDGYHGNO-UHFFFAOYSA-N
XLogP2.45
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.70
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10807989, Example SC_1349
CID 130200783
US10807989, Example SC_1360
CID 130200637
(2S,4R)-4-fluoro-1-(2-methylsulfonylacetyl)-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165140492
US10807989, Example SC_1351
CID 130200493
CIS-1-(Cyclobutyl-methyl)-8-dimethylamino-3-[2-(1,1-dioxo-[1,4]thiazinan-4-yl)-2-oxo-ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130200519
US10807989, Example SC_1366
CID 130200623
US10807989, Example SC_1103
CID 130200911
US10793556, Example SC_4072
CID 130210895
US10738015, Example SC-6
CID 137407663
US10807989, Example SC_1223
CID 130200458
US10807989, Example SC_1177
CID 130200460
US10807989, Example SC_1343
CID 130200461

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide (CID 130200468) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)NCCS(C)(=O)=O)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
The InChIKey is YCVRKJCDGYHGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O4S/c1-28(2)26(22-10-5-4-6-11-22)14-12-25(13-15-26)20-29(19-23(31)27-16-17-35(3,33)34)24(32)30(25)18-21-8-7-9-21/h4-6,10-11,21H,7-9,12-20H2,1-3H3,(H,27,31).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide has a molecular weight of 504.70 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylsulfonylethyl)acetamide is sourced from PubChem (CID 130200468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).