N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C15H17N5O4S2 — CID 100576928

IUPACN-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1
InChIInChI=1S/C15H17N5O4S2/c1-10(21)17-14-18-19-15(25-14)26(23,24)16-9-11-4-2-5-12(8-11)20-7-3-6-13(20)22/h2,4-5,8,16H,3,6-7,9H2,1H3,(H,17,18,21)
InChIKeyFCPQYCVSOLTUFM-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.10
Rot. Bonds6

About N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 100576928) has the molecular formula C15H17N5O4S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID100576928
Molecular FormulaC15H17N5O4S2
Molecular Weight395.47 g/mol
Exact Mass395.07
IUPAC NameN-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1
InChIInChI=1S/C15H17N5O4S2/c1-10(21)17-14-18-19-15(25-14)26(23,24)16-9-11-4-2-5-12(8-11)20-7-3-6-13(20)22/h2,4-5,8,16H,3,6-7,9H2,1H3,(H,17,18,21)
InChIKeyFCPQYCVSOLTUFM-UHFFFAOYSA-N
XLogP1.10
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667551
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
4-methoxy-2,5-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 94638093
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524
4-ethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 39516489
1-[3-[(chloroamino)methyl]phenyl]pyrrolidin-2-one
CID 88577305
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
1-[3-(methylaminomethyl)phenyl]piperidin-2-one
CID 63272190
4-[[[3-(2-oxopyrrolidin-1-yl)phenyl]methylamino]methyl]benzoic acid
CID 122030295
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
1-[3-[(propan-2-ylamino)methyl]phenyl]piperidin-2-one
CID 113352085

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 100576928) is N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCc2cccc(N3CCCC3=O)c2)s1.
What is the InChIKey of N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is FCPQYCVSOLTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S2/c1-10(21)17-14-18-19-15(25-14)26(23,24)16-9-11-4-2-5-12(8-11)20-7-3-6-13(20)22/h2,4-5,8,16H,3,6-7,9H2,1H3,(H,17,18,21).
What are the key properties of N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(2-oxopyrrolidin-1-yl)phenyl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 100576928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).