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

C14H18N4O3S2 — CID 22517984

IUPACN-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C14H18N4O3S2/c1-4-18(11-8-6-5-7-9-11)23(20,21)14-17-16-13(22-14)15-12(19)10(2)3/h5-10H,4H2,1-3H3,(H,15,16,19)
InChIKeyYUXKLZXDMPFWAK-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.35
Rot. Bonds6

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

N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 22517984) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID22517984
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C14H18N4O3S2/c1-4-18(11-8-6-5-7-9-11)23(20,21)14-17-16-13(22-14)15-12(19)10(2)3/h5-10H,4H2,1-3H3,(H,15,16,19)
InChIKeyYUXKLZXDMPFWAK-UHFFFAOYSA-N
XLogP2.35
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 22517984) is N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CCN(c1ccccc1)S(=O)(=O)c1nnc(NC(=O)C(C)C)s1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is YUXKLZXDMPFWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-4-18(11-8-6-5-7-9-11)23(20,21)14-17-16-13(22-14)15-12(19)10(2)3/h5-10H,4H2,1-3H3,(H,15,16,19).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 354.46 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 22517984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).