4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide

C15H19N3O4S2 — CID 29473495

IUPAC4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)/N=c2/sccn2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H19N3O4S2/c1-10(2)17-24(20,21)13-9-11(5-6-12(13)22-4)14(19)16-15-18(3)7-8-23-15/h5-10,17H,1-4H3/b16-15+
InChIKeyHCEXFKOTPDTBHF-FOCLMDBBSA-N
MW369.47 g/mol
LogP1.52
Rot. Bonds5

About 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide

4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 29473495) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID29473495
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide
SMILESCOc1ccc(C(=O)/N=c2/sccn2C)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H19N3O4S2/c1-10(2)17-24(20,21)13-9-11(5-6-12(13)22-4)14(19)16-15-18(3)7-8-23-15/h5-10,17H,1-4H3/b16-15+
InChIKeyHCEXFKOTPDTBHF-FOCLMDBBSA-N
XLogP1.52
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-4-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 38162531
2-methoxy-5-(piperazine-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119401125
2-methoxy-N-propan-2-yl-5-(2-propan-2-yliminopyridine-1-carbonyl)benzenesulfonamide
CID 18286787
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 28557637
2-methoxy-N-propan-2-yl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532917
4-methoxy-3-(propan-2-ylsulfamoyl)-N-(2-thiophen-2-ylethyl)benzamide
CID 46582229
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
5-[[(4-chlorobenzoyl)amino]carbamoyl]-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 35158676
N-butan-2-yl-4-methoxy-3-(propan-2-ylsulfamoyl)benzamide
CID 45373494
4-methoxy-3-(propan-2-ylsulfamoyl)-N-prop-2-ynylbenzamide
CID 39736994
(3S,4S)-1-[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952831
tert-butyl N-[[4-methoxy-3-(propan-2-ylsulfamoyl)benzoyl]amino]carbamate
CID 22108264

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide (CID 29473495) is 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide is COc1ccc(C(=O)/N=c2/sccn2C)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is HCEXFKOTPDTBHF-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10(2)17-24(20,21)13-9-11(5-6-12(13)22-4)14(19)16-15-18(3)7-8-23-15/h5-10,17H,1-4H3/b16-15+.
What are the key properties of 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide?
4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 369.47 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methyl-1,3-thiazol-2-ylidene)-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 29473495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).