N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide

C18H23N3O4S2 — CID 53080581

IUPACN-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCC1
InChIInChI=1S/C18H23N3O4S2/c22-17(19-13-5-1-2-6-13)12-21-15-8-7-14(11-16(15)26-18(21)23)27(24,25)20-9-3-4-10-20/h7-8,11,13H,1-6,9-10,12H2,(H,19,22)
InChIKeyPSXYBNXRDFDGGF-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide

N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide (PubChem CID 53080581) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
PubChem CID53080581
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC NameN-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCC1
InChIInChI=1S/C18H23N3O4S2/c22-17(19-13-5-1-2-6-13)12-21-15-8-7-14(11-16(15)26-18(21)23)27(24,25)20-9-3-4-10-20/h7-8,11,13H,1-6,9-10,12H2,(H,19,22)
InChIKeyPSXYBNXRDFDGGF-UHFFFAOYSA-N
XLogP1.91
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513
3-(2-oxo-2-pyrrolidin-1-ylethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-one
CID 53007192
N-(4-acetylphenyl)-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide
CID 53080560
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 53106235
N-cyclooctyl-2-(6-morpholin-4-ylsulfonyl-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20876154
N-(4-methylcyclohexyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106361
N-cyclohexyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 7992789
N-cycloheptyl-2-(2-oxo-5-pyrrolidin-1-ylsulfonyl-1-pyridinyl)acetamide
CID 9267746
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53106217
2-[(6aR)-6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-cycloheptylacetamide
CID 95074687
N-cycloheptyl-2-(3-oxo-6-piperidin-1-ylsulfonyl-1,4-benzothiazin-4-yl)acetamide
CID 4064303
6-(azepan-1-ylsulfonyl)-3-benzyl-1,3-benzothiazol-2-one
CID 100740114

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide (CID 53080581) is N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2cc(S(=O)(=O)N3CCCC3)ccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is PSXYBNXRDFDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c22-17(19-13-5-1-2-6-13)12-21-15-8-7-14(11-16(15)26-18(21)23)27(24,25)20-9-3-4-10-20/h7-8,11,13H,1-6,9-10,12H2,(H,19,22).
What are the key properties of N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide?
N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 53080581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).