N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C16H20N4O3S2 — CID 133191018

IUPACN-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC(C)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C16H20N4O3S2/c1-10(13-8-7-12-5-3-4-6-14(12)9-13)20-25(22,23)16-19-18-15(24-16)17-11(2)21/h7-10,20H,3-6H2,1-2H3,(H,17,18,21)
InChIKeyVMBZXMXJFIKJQD-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.41
Rot. Bonds5

About N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 133191018) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID133191018
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NC(C)c2ccc3c(c2)CCCC3)s1
InChIInChI=1S/C16H20N4O3S2/c1-10(13-8-7-12-5-3-4-6-14(12)9-13)20-25(22,23)16-19-18-15(24-16)17-11(2)21/h7-10,20H,3-6H2,1-2H3,(H,17,18,21)
InChIKeyVMBZXMXJFIKJQD-UHFFFAOYSA-N
XLogP2.41
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133187007
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
2-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]thiophen-2-yl]acetic acid
CID 45298894
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[5-[1-(2-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 133162457
N-[5-[1-(4-tert-butylphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]-4-chlorobenzamide
CID 133264494
1,3-dimethyl-2,4-dioxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrimidine-5-sulfonamide
CID 24511010
N-[5-[1-(4-methoxyphenyl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133201763
2-chloro-N-[5-[[(1S)-1-phenylethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100766365
2-methyl-N-[5-[[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 125052572
N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pyrrolidine-1-sulfonamide
CID 124748921
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 94501246

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 133191018) is N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NC(C)c2ccc3c(c2)CCCC3)s1.
What is the InChIKey of N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VMBZXMXJFIKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-10(13-8-7-12-5-3-4-6-14(12)9-13)20-25(22,23)16-19-18-15(24-16)17-11(2)21/h7-10,20H,3-6H2,1-2H3,(H,17,18,21).
What are the key properties of N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 380.50 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 133191018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).