2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide

C17H18N2O2S3 — CID 53139174

IUPAC2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)c1
InChIInChI=1S/C17H18N2O2S3/c1-11-5-4-6-14(7-11)9-18-24(20,21)17-8-16(23-12(17)2)15-10-22-13(3)19-15/h4-8,10,18H,9H2,1-3H3
InChIKeyMETFBQZYLFWMJN-UHFFFAOYSA-N
MW378.54 g/mol
LogP4.28
Rot. Bonds5

About 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide

2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide (PubChem CID 53139174) has the molecular formula C17H18N2O2S3 and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
PubChem CID53139174
Molecular FormulaC17H18N2O2S3
Molecular Weight378.54 g/mol
Exact Mass378.05
IUPAC Name2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)c1
InChIInChI=1S/C17H18N2O2S3/c1-11-5-4-6-14(7-11)9-18-24(20,21)17-8-16(23-12(17)2)15-10-22-13(3)19-15/h4-8,10,18H,9H2,1-3H3
InChIKeyMETFBQZYLFWMJN-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

N-benzyl-2-methyl-5-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835233
2-(ethylamino)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 62146693
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
3-amino-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60902763
2-methyl-N-[(2-methylphenyl)methyl]-5-(4-methyl-1,3-thiazol-2-yl)thiophene-3-sulfonamide
CID 50835609
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
2-(methylamino)-N-[(3-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62146869
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
4-(aminomethyl)-2-methyl-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 106996757
2-methyl-4-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-1,3-thiazole
CID 50843856
6-chloro-N-[(3-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 60902472

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
The IUPAC name of 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide (CID 53139174) is 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
The canonical SMILES for 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide is Cc1cccc(CNS(=O)(=O)c2cc(-c3csc(C)n3)sc2C)c1.
What is the InChIKey of 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
The InChIKey is METFBQZYLFWMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S3/c1-11-5-4-6-14(7-11)9-18-24(20,21)17-8-16(23-12(17)2)15-10-22-13(3)19-15/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide?
2-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide 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-methyl-N-[(3-methylphenyl)methyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53139174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).