N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide

C14H18N4O3S2 — CID 22518007

IUPACN-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C14H18N4O3S2/c1-3-4-10-12(19)15-13-16-17-14(22-13)23(20,21)18(2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16,19)
InChIKeySBBXKGWJQYBJLE-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.49
Rot. Bonds7

About N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide

N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 22518007) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID22518007
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1
InChIInChI=1S/C14H18N4O3S2/c1-3-4-10-12(19)15-13-16-17-14(22-13)23(20,21)18(2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16,19)
InChIKeySBBXKGWJQYBJLE-UHFFFAOYSA-N
XLogP2.49
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-[methyl-(2-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 22518032
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 22518004
2-(2-chlorophenoxy)-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 22518013
4-methyl-N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 22517994
N-[5-(benzenesulfonylmethyl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 17321419
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
3-benzylsulfonyl-N-(5-butyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2230030
2-(4-fluorophenoxy)-N-[5-[methyl-(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 22518072
N-[5-[[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,3,4-thiadiazol-2-yl]pentanamide
CID 3112369
phenyl N-[5-(diethylsulfamoyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 70529698
3-[5-(pentanoylamino)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82058147
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 27991484

Frequently Asked Questions

What is the IUPAC name of N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide (CID 22518007) is N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide is CCCCC(=O)Nc1nnc(S(=O)(=O)N(C)c2ccccc2)s1.
What is the InChIKey of N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is SBBXKGWJQYBJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-3-4-10-12(19)15-13-16-17-14(22-13)23(20,21)18(2)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,15,16,19).
What are the key properties of N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide?
N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 354.46 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[methyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 22518007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).