N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide

C19H29N3O3S — CID 50793191

IUPACN-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESCc1cc(C)c(CN2CCN(CC(=O)NC3CCCC3)S2(=O)=O)c(C)c1
InChIInChI=1S/C19H29N3O3S/c1-14-10-15(2)18(16(3)11-14)12-21-8-9-22(26(21,24)25)13-19(23)20-17-6-4-5-7-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,20,23)
InChIKeyOOSDRUZPAXSDHQ-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.03
Rot. Bonds5

About N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide

N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide (PubChem CID 50793191) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
PubChem CID50793191
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide
SMILESCc1cc(C)c(CN2CCN(CC(=O)NC3CCCC3)S2(=O)=O)c(C)c1
InChIInChI=1S/C19H29N3O3S/c1-14-10-15(2)18(16(3)11-14)12-21-8-9-22(26(21,24)25)13-19(23)20-17-6-4-5-7-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,20,23)
InChIKeyOOSDRUZPAXSDHQ-UHFFFAOYSA-N
XLogP2.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[6-[(3-methylphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952521
N-cyclopentyl-2-[6-[(4-fluorophenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]acetamide
CID 20952463
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
N-cyclohexyl-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768332
N-(oxan-4-yl)-2-[(2,4,6-trimethylphenyl)methylsulfanyl]acetamide
CID 98364272
N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813845
N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892087
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cycloheptyl-2-(5,7-dimethyl-4-oxoquinolin-1-yl)acetamide
CID 100744084
N-cyclopropyl-2-[4-(2,4,6-trimethylbenzoyl)piperazin-1-yl]acetamide
CID 146085050
4-[(cyclohexylamino)methyl]-2,5-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrole-3-carboxylic acid
CID 20891710
N-cyclopentyl-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108794252

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide (CID 50793191) is N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide is Cc1cc(C)c(CN2CCN(CC(=O)NC3CCCC3)S2(=O)=O)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
The InChIKey is OOSDRUZPAXSDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-14-10-15(2)18(16(3)11-14)12-21-8-9-22(26(21,24)25)13-19(23)20-17-6-4-5-7-17/h10-11,17H,4-9,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide?
N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide has a molecular weight of 379.53 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[1,1-dioxo-5-[(2,4,6-trimethylphenyl)methyl]-1,2,5-thiadiazolidin-2-yl]acetamide is sourced from PubChem (CID 50793191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).