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

C14H17N5O4S3 — CID 2443557

IUPAC2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C14H17N5O4S3/c15-13-17-18-14(25-13)24-9-12(20)16-10-1-3-11(4-2-10)26(21,22)19-5-7-23-8-6-19/h1-4H,5-9H2,(H2,15,17)(H,16,20)
InChIKeyFSMBVMMPNWMWNJ-UHFFFAOYSA-N
MW415.52 g/mol
LogP0.87
Rot. Bonds6

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 2443557) has the molecular formula C14H17N5O4S3 and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID2443557
Molecular FormulaC14H17N5O4S3
Molecular Weight415.52 g/mol
Exact Mass415.04
IUPAC Name2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESNc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
InChIInChI=1S/C14H17N5O4S3/c15-13-17-18-14(25-13)24-9-12(20)16-10-1-3-11(4-2-10)26(21,22)19-5-7-23-8-6-19/h1-4H,5-9H2,(H2,15,17)(H,16,20)
InChIKeyFSMBVMMPNWMWNJ-UHFFFAOYSA-N
XLogP0.87
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 395815
5-{4-[3-(2-Morpholin-4-yl-ethyl)-thioureido]-benzenesulfonylamino}-[1,3,4]thiadiazole-2-sulfonic acid amide
CID 44395892
5-[4-(3-Morpholin-4-yl-thioureido)-benzenesulfonylamino]-[1,3,4]thiadiazole-2-sulfonic acid amide
CID 44395897
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2336442
2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 2352949
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2572431
2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 4965392
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 5108547
2-Amino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 10524550
2-Methylamino-N-[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenyl]-acetamide
CID 10525380
2-Amino-N-{[4-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-phenylcarbamoyl]-methyl}-acetamide
CID 10718340
N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 16315480

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 2443557) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is Nc1nnc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1.
What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is FSMBVMMPNWMWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4S3/c15-13-17-18-14(25-13)24-9-12(20)16-10-1-3-11(4-2-10)26(21,22)19-5-7-23-8-6-19/h1-4H,5-9H2,(H2,15,17)(H,16,20).
What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 415.52 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2443557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).