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

C15H17N5O4S2 — CID 110371573

IUPACN-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1nnc(NC(C)=O)s1)cn2C
InChIInChI=1S/C15H17N5O4S2/c1-9(21)17-14-18-19-15(25-14)26(22,23)16-7-10-8-20(2)13-5-4-11(24-3)6-12(10)13/h4-6,8,16H,7H2,1-3H3,(H,17,18,21)
InChIKeyZKRSOZUBABQLEJ-UHFFFAOYSA-N
MW395.47 g/mol
LogP1.48
Rot. Bonds6

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

N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110371573) has the molecular formula C15H17N5O4S2 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110371573
Molecular FormulaC15H17N5O4S2
Molecular Weight395.47 g/mol
Exact Mass395.07
IUPAC NameN-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOc1ccc2c(c1)c(CNS(=O)(=O)c1nnc(NC(C)=O)s1)cn2C
InChIInChI=1S/C15H17N5O4S2/c1-9(21)17-14-18-19-15(25-14)26(22,23)16-7-10-8-20(2)13-5-4-11(24-3)6-12(10)13/h4-6,8,16H,7H2,1-3H3,(H,17,18,21)
InChIKeyZKRSOZUBABQLEJ-UHFFFAOYSA-N
XLogP1.48
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[(5-methoxy-1-methylindol-3-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110371546
N-[5-[(1,2,5-trimethylpyrrol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110642140
N-[(5-methoxy-1-methylindol-3-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110371567
N-[(5-methoxy-1-methylindol-3-yl)methyl]-2,4-dimethylbenzenesulfonamide
CID 110371530
N-[5-[(3,4-dimethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110779637
N-[5-[1-(2,5-dimethoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187650
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100755260
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(5-methyl-1,3-thiazol-2-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110739067
2-(4-ethoxyphenyl)-N-[(5-methoxy-1-methylindol-3-yl)methyl]acetamide
CID 110371484
N-[5-(1,3-thiazol-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110738901
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100568826

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110371573) is N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is COc1ccc2c(c1)c(CNS(=O)(=O)c1nnc(NC(C)=O)s1)cn2C.
What is the InChIKey of N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ZKRSOZUBABQLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S2/c1-9(21)17-14-18-19-15(25-14)26(22,23)16-7-10-8-20(2)13-5-4-11(24-3)6-12(10)13/h4-6,8,16H,7H2,1-3H3,(H,17,18,21).
What are the key properties of N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 395.47 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-methoxy-1-methylindol-3-yl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110371573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).