2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide

C18H26N4O3S2 — CID 70960231

IUPAC2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide
SMILESCCCCCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C18H26N4O3S2/c1-3-4-5-6-7-8-14(2)17(23)20-15-9-11-16(12-10-15)27(24,25)22-18-21-19-13-26-18/h9-14H,3-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBQIARVWNTSSHCO-UHFFFAOYSA-N
MW410.57 g/mol
LogP4.27
Rot. Bonds11

About 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide

2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide (PubChem CID 70960231) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide
PubChem CID70960231
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC Name2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide
SMILESCCCCCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
InChIInChI=1S/C18H26N4O3S2/c1-3-4-5-6-7-8-14(2)17(23)20-15-9-11-16(12-10-15)27(24,25)22-18-21-19-13-26-18/h9-14H,3-8H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBQIARVWNTSSHCO-UHFFFAOYSA-N
XLogP4.27
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
ethane;4-hydroxy-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 90981855
2-methyl-N-pyridin-4-yldodecanamide
CID 175060967
(2S)-N-(4-chlorophenyl)-3-oxo-2-[[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]diazenyl]butanamide
CID 98517861
5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 29370496
3-(2-chlorophenyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 74954387
4-(10-phenyldecyl)-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 58302671
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 80542754
2,2-dichloro-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 3354024

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide?
The IUPAC name of 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide (CID 70960231) is 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide.
What is the SMILES notation for 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide?
The canonical SMILES for 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide is CCCCCCCC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide?
The InChIKey is BQIARVWNTSSHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c1-3-4-5-6-7-8-14(2)17(23)20-15-9-11-16(12-10-15)27(24,25)22-18-21-19-13-26-18/h9-14H,3-8H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide?
2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide has a molecular weight of 410.57 g/mol, XLogP of 4.27, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]nonanamide is sourced from PubChem (CID 70960231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).