N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

C23H28N4O3S — CID 23832751

IUPACN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2C(=O)CC(N(C(=O)CSc3nccn3C)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H28N4O3S/c1-16-8-10-18(11-9-16)27-20(28)14-19(22(27)30)26(17-6-4-3-5-7-17)21(29)15-31-23-24-12-13-25(23)2/h8-13,17,19H,3-7,14-15H2,1-2H3
InChIKeyLPLPYZKOAYMHAV-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.31
Rot. Bonds6

About N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide

N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (PubChem CID 23832751) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
PubChem CID23832751
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2C(=O)CC(N(C(=O)CSc3nccn3C)C3CCCCC3)C2=O)cc1
InChIInChI=1S/C23H28N4O3S/c1-16-8-10-18(11-9-16)27-20(28)14-19(22(27)30)26(17-6-4-3-5-7-17)21(29)15-31-23-24-12-13-25(23)2/h8-13,17,19H,3-7,14-15H2,1-2H3
InChIKeyLPLPYZKOAYMHAV-UHFFFAOYSA-N
XLogP3.31
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 91691056
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23728238
N-benzyl-N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23972954
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cycloheptyl-4-methylbenzamide
CID 23944596
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclohexyl-4-methylbenzamide
CID 23832421
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-benzyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 23861160
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-cyclohexyl-N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 23972942
N-cyclohexyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]thiophene-2-carboxamide
CID 23943157
N-cyclopropyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]cyclopropanecarboxamide
CID 23942984
N-cycloheptyl-N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 23802159
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
N-cyclopentyl-3-methoxy-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]benzamide
CID 23745191

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide (CID 23832751) is N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is Cc1ccc(N2C(=O)CC(N(C(=O)CSc3nccn3C)C3CCCCC3)C2=O)cc1.
What is the InChIKey of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
The InChIKey is LPLPYZKOAYMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16-8-10-18(11-9-16)27-20(28)14-19(22(27)30)26(17-6-4-3-5-7-17)21(29)15-31-23-24-12-13-25(23)2/h8-13,17,19H,3-7,14-15H2,1-2H3.
What are the key properties of N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide?
N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide has a molecular weight of 440.57 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-methylimidazol-2-yl)sulfanyl-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 23832751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).