N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide

C16H19N5O3S2 — CID 110316065

IUPACN-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCc3cc(N4CCCC4)ccc32)s1
InChIInChI=1S/C16H19N5O3S2/c1-11(22)17-15-18-19-16(25-15)26(23,24)21-9-6-12-10-13(4-5-14(12)21)20-7-2-3-8-20/h4-5,10H,2-3,6-9H2,1H3,(H,17,18,22)
InChIKeyCUBYAJPETCDWMS-UHFFFAOYSA-N
MW393.49 g/mol
LogP1.85
Rot. Bonds4

About N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110316065) has the molecular formula C16H19N5O3S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110316065
Molecular FormulaC16H19N5O3S2
Molecular Weight393.49 g/mol
Exact Mass393.09
IUPAC NameN-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)N2CCc3cc(N4CCCC4)ccc32)s1
InChIInChI=1S/C16H19N5O3S2/c1-11(22)17-15-18-19-16(25-15)26(23,24)21-9-6-12-10-13(4-5-14(12)21)20-7-2-3-8-20/h4-5,10H,2-3,6-9H2,1H3,(H,17,18,22)
InChIKeyCUBYAJPETCDWMS-UHFFFAOYSA-N
XLogP1.85
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 56920904
N-[5-[(6-methyl-4-oxo-2,3-dihydroquinolin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110634940
N-(5-piperidin-1-ylsulfonyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56919403
N-[5-[[5-(dimethylsulfamoyl)-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100703343
N-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]-2-ethylbutanamide
CID 22517621
5-pyrrolidin-1-yl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 110316037
N-ethyl-5-pyrrolidin-1-yl-2,3-dihydroindole-1-sulfonamide
CID 110634468
N-[5-(2,3-dihydroindol-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 22517604
1-(4-ethoxyphenyl)sulfonyl-5-pyrrolidin-1-yl-2,3-dihydroindole
CID 110316058
N-[5-[(3-morpholin-4-ylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110362427
N-[5-[(7-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110307975
N-[5-(1,3-oxazinan-3-ylsulfonyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110739746

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110316065) is N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)N2CCc3cc(N4CCCC4)ccc32)s1.
What is the InChIKey of N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is CUBYAJPETCDWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S2/c1-11(22)17-15-18-19-16(25-15)26(23,24)21-9-6-12-10-13(4-5-14(12)21)20-7-2-3-8-20/h4-5,10H,2-3,6-9H2,1H3,(H,17,18,22).
What are the key properties of N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110316065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).