N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

C27H34N4O4S — CID 4180067

IUPACN,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C27H34N4O4S/c1-3-28(4-2)25(32)21-29-22-31(24-13-9-6-10-14-24)27(26(29)33)16-18-30(19-17-27)36(34,35)20-15-23-11-7-5-8-12-23/h5-15,20H,3-4,16-19,21-22H2,1-2H3
InChIKeyDTVXOYXRVGDZBM-UHFFFAOYSA-N
MW510.66 g/mol
LogP3.00
Rot. Bonds8

About N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide

N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 4180067) has the molecular formula C27H34N4O4S and a molecular weight of 510.66 g/mol. Its IUPAC name is N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
PubChem CID4180067
Molecular FormulaC27H34N4O4S
Molecular Weight510.66 g/mol
Exact Mass510.23
IUPAC NameN,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
SMILESCCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C27H34N4O4S/c1-3-28(4-2)25(32)21-29-22-31(24-13-9-6-10-14-24)27(26(29)33)16-18-30(19-17-27)36(34,35)20-15-23-11-7-5-8-12-23/h5-15,20H,3-4,16-19,21-22H2,1-2H3
InChIKeyDTVXOYXRVGDZBM-UHFFFAOYSA-N
XLogP3.00
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.66
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[4-oxo-1-phenyl-8-[(E)-3-phenylprop-2-enoyl]-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 6020296
2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
CID 3249617
2-[8-(3,3-dimethylbutanoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N,N-diethylacetamide
CID 3537703
3-[2-(diethylamino)-2-oxoethyl]-4-oxo-1-phenyl-N-(4-propan-2-ylphenyl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4089717
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-(benzenesulfonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 5001524
2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 3888469
N-benzyl-2-[8-(2,5-dichlorophenyl)sulfonyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
CID 4132617
N-(cyclohexylmethyl)-2-[4-oxo-1-phenyl-8-(3-phenylprop-2-enoyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 5113199
N,N-dimethyl-2-[4-oxo-1-phenyl-8-[3-(trifluoromethyl)phenyl]sulfonyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
CID 4555091
N-cyclohexyl-N-ethyl-2-[4-[(Z)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 97427429
2-[8-(benzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-cyclohexylacetamide
CID 4104485
8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3903348

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide (CID 4180067) is N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is CCN(CC)C(=O)CN1CN(c2ccccc2)C2(CCN(S(=O)(=O)C=Cc3ccccc3)CC2)C1=O.
What is the InChIKey of N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is DTVXOYXRVGDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O4S/c1-3-28(4-2)25(32)21-29-22-31(24-13-9-6-10-14-24)27(26(29)33)16-18-30(19-17-27)36(34,35)20-15-23-11-7-5-8-12-23/h5-15,20H,3-4,16-19,21-22H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide?
N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 510.66 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-oxo-1-phenyl-8-(2-phenylethenylsulfonyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 4180067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).