2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

C15H21N5O3S3 — CID 4839084

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(N)s2)ccc1C
InChIInChI=1S/C15H21N5O3S3/c1-4-20(5-2)26(22,23)12-8-11(7-6-10(12)3)17-13(21)9-24-15-19-18-14(16)25-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyLVZMDXVIEOZGJX-UHFFFAOYSA-N
MW415.57 g/mol
LogP2.19
Rot. Bonds8

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 4839084) has the molecular formula C15H21N5O3S3 and a molecular weight of 415.57 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID4839084
Molecular FormulaC15H21N5O3S3
Molecular Weight415.57 g/mol
Exact Mass415.08
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(N)s2)ccc1C
InChIInChI=1S/C15H21N5O3S3/c1-4-20(5-2)26(22,23)12-8-11(7-6-10(12)3)17-13(21)9-24-15-19-18-14(16)25-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21)
InChIKeyLVZMDXVIEOZGJX-UHFFFAOYSA-N
XLogP2.19
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.57
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide (CID 4839084) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(N)s2)ccc1C.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is LVZMDXVIEOZGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S3/c1-4-20(5-2)26(22,23)12-8-11(7-6-10(12)3)17-13(21)9-24-15-19-18-14(16)25-15/h6-8H,4-5,9H2,1-3H3,(H2,16,18)(H,17,21).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 415.57 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 4839084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).