N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C19H25N3O4S — CID 51727046

IUPACN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C19H25N3O4S/c1-20-16-8-4-5-9-17(16)21(19(20)24)12-18(23)22(14-6-2-3-7-14)15-10-11-27(25,26)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3/t15-/m0/s1
InChIKeyAGQSUEXOFKJWNK-HNNXBMFYSA-N
MW391.49 g/mol
LogP1.30
Rot. Bonds4

About N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 51727046) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID51727046
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCn1c(=O)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc21
InChIInChI=1S/C19H25N3O4S/c1-20-16-8-4-5-9-17(16)21(19(20)24)12-18(23)22(14-6-2-3-7-14)15-10-11-27(25,26)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3/t15-/m0/s1
InChIKeyAGQSUEXOFKJWNK-HNNXBMFYSA-N
XLogP1.30
TPSA81.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 55501447
2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 75426289
N-[(3R)-1,1-dioxothiolan-3-yl]-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-propylpropanamide
CID 99645243
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-cyclohexyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 40942048
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 8986686
N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 41046019
N-cyclopropyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 55592024
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
N-cyclopentyl-2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 31320614
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 32663956
2-(4-benzhydrylpiperazin-1-yl)-N-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30633733

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 51727046) is N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is Cn1c(=O)n(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c2ccccc21.
What is the InChIKey of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is AGQSUEXOFKJWNK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-20-16-8-4-5-9-17(16)21(19(20)24)12-18(23)22(14-6-2-3-7-14)15-10-11-27(25,26)13-15/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3/t15-/m0/s1.
What are the key properties of N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 391.49 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 51727046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).