2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

C17H18N2O2S3 — CID 121121789

IUPAC2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c(C)c1
InChIInChI=1S/C17H18N2O2S3/c1-11-6-7-16(12(2)9-11)24(20,21)18-10-15-13(3)19-17(23-15)14-5-4-8-22-14/h4-9,18H,10H2,1-3H3
InChIKeyVYLKWMZXUJJVSV-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.28
Rot. Bonds5

About 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide

2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 121121789) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
PubChem CID121121789
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC Name2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c(C)c1
InChIInChI=1S/C17H18N2O2S3/c1-11-6-7-16(12(2)9-11)24(20,21)18-10-15-13(3)19-17(23-15)14-5-4-8-22-14/h4-9,18H,10H2,1-3H3
InChIKeyVYLKWMZXUJJVSV-UHFFFAOYSA-N
XLogP4.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 121121796
1-(3-methylphenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121878
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121798
3-chloro-4-fluoro-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 71795454
1-(3,5-difluorophenyl)-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]methanesulfonamide
CID 121121873
2-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-4-nitrobenzenesulfonamide
CID 121121781
2-methyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]propanamide
CID 90546705
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
2,4-dimethyl-N-[(1-thiophen-2-ylcyclopropyl)methyl]benzenesulfonamide
CID 30530525
2-acetamido-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546880
N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]cyclopropanecarboxamide
CID 90546633
1-(2-methylphenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 71795436

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide (CID 121121789) is 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2sc(-c3cccs3)nc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is VYLKWMZXUJJVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-11-6-7-16(12(2)9-11)24(20,21)18-10-15-13(3)19-17(23-15)14-5-4-8-22-14/h4-9,18H,10H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide?
2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 378.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 121121789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).