N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide

C13H15N3O3S2 — CID 30710981

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide
SMILESCn1ccs/c1=N/C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O3S2/c1-16-8-9-20-13(16)15-12(17)7-4-10-2-5-11(6-3-10)21(14,18)19/h2-3,5-6,8-9H,4,7H2,1H3,(H2,14,18,19)/b15-13+
InChIKeyLJTWKPRINQMZLH-FYWRMAATSA-N
MW325.42 g/mol
LogP0.79
Rot. Bonds4

About N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide

N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide (PubChem CID 30710981) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide
PubChem CID30710981
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide
SMILESCn1ccs/c1=N/C(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H15N3O3S2/c1-16-8-9-20-13(16)15-12(17)7-4-10-2-5-11(6-3-10)21(14,18)19/h2-3,5-6,8-9H,4,7H2,1H3,(H2,14,18,19)/b15-13+
InChIKeyLJTWKPRINQMZLH-FYWRMAATSA-N
XLogP0.79
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-1,3-thiazol-2-ylidene)-2-propan-2-ylsulfonylacetamide
CID 60528439
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1,3-thiazol-2-ylidene)propanamide
CID 29473465
N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 71899527
4-(4-sulfamoylphenyl)butanamide
CID 145476026
N-(3-methyl-1,3-thiazol-2-ylidene)-5-nitrofuran-2-carboxamide
CID 24687249
8-(4-sulfamoylphenyl)octanamide
CID 67422603
6-chloro-N-[2-(4-sulfamoylphenyl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 2353740
butyl 3-(4-sulfamoylphenyl)propanoate
CID 35588023
4-(4-diazo-3,5-dioxohexyl)benzenesulfonamide
CID 54351421
3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide
CID 130668129
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide (CID 30710981) is N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide is Cn1ccs/c1=N/C(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is LJTWKPRINQMZLH-FYWRMAATSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c1-16-8-9-20-13(16)15-12(17)7-4-10-2-5-11(6-3-10)21(14,18)19/h2-3,5-6,8-9H,4,7H2,1H3,(H2,14,18,19)/b15-13+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 325.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 30710981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).