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

C14H18N4O3S2 — CID 22517983

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

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

N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 22517983) 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]butanamide.

Molecular Properties

Compound NameN-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID22517983
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccccc2)s1
InChIInChI=1S/C14H18N4O3S2/c1-3-8-12(19)15-13-16-17-14(22-13)23(20,21)18(4-2)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,15,16,19)
InChIKeyRWBGWGLPEPCEDD-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

2-methyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 1547874
3-methyl-N-[5-(phenylsulfamoyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 22517468
N-{5-[Ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-YL}-2-methylpropanamide
CID 22517984
N-(5-{[4-(dimethylamino)phenyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 664935
N-(5-{[4-(dimethylamino)phenyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
CID 879262
N-(5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)butanamide
CID 980311
N-(5-((2-oxo-2-(phenylamino)ethyl)thio)-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
CID 1470577
N,N-diethyl-4-[[5-(2-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]butanamide
CID 2400614
N-[5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylbutanamide
CID 3220493
N-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-methylbutanamide
CID 5091069
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 5112201
2-[carbamimidoyl(methyl)amino]-N-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 10718314

Frequently Asked Questions

What is the IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide (CID 22517983) is N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide is CCCC(=O)Nc1nnc(S(=O)(=O)N(CC)c2ccccc2)s1.
What is the InChIKey of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is RWBGWGLPEPCEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-3-8-12(19)15-13-16-17-14(22-13)23(20,21)18(4-2)11-9-6-5-7-10-11/h5-7,9-10H,3-4,8H2,1-2H3,(H,15,16,19).
What are the key properties of N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide?
N-[5-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide 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-[ethyl(phenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 22517983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).