N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

C26H33N5O5S — CID 24983059

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O
InChIInChI=1S/C26H33N5O5S/c1-4-26(19-11-7-5-8-12-19)24(33)31(25(34)28-26)18-23(32)27-21-17-20(13-14-22(21)29(2)3)37(35,36)30-15-9-6-10-16-30/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyPMEVESDGNTWYSR-UHFFFAOYSA-N
MW527.65 g/mol
LogP2.72
Rot. Bonds8

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (PubChem CID 24983059) has the molecular formula C26H33N5O5S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
PubChem CID24983059
Molecular FormulaC26H33N5O5S
Molecular Weight527.65 g/mol
Exact Mass527.22
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
SMILESCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O
InChIInChI=1S/C26H33N5O5S/c1-4-26(19-11-7-5-8-12-19)24(33)31(25(34)28-26)18-23(32)27-21-17-20(13-14-22(21)29(2)3)37(35,36)30-15-9-6-10-16-30/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyPMEVESDGNTWYSR-UHFFFAOYSA-N
XLogP2.72
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.65
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide (CID 24983059) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is CCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1=O.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
The InChIKey is PMEVESDGNTWYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S/c1-4-26(19-11-7-5-8-12-19)24(33)31(25(34)28-26)18-23(32)27-21-17-20(13-14-22(21)29(2)3)37(35,36)30-15-9-6-10-16-30/h5,7-8,11-14,17H,4,6,9-10,15-16,18H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide has a molecular weight of 527.65 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 24983059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).