N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

C17H18N2O3S2 — CID 53057150

IUPACN,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1
InChIInChI=1S/C17H18N2O3S2/c1-11-6-5-7-14(10-11)19(4)24(20,21)17-13(3)23-12(2)16(17)15-8-9-18-22-15/h5-10H,1-4H3
InChIKeyKFIGKFVGRVBOIR-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.15
Rot. Bonds4

About N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057150) has the molecular formula C17H18N2O3S2 and a molecular weight of 362.48 g/mol. Its IUPAC name is N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057150
Molecular FormulaC17H18N2O3S2
Molecular Weight362.48 g/mol
Exact Mass362.08
IUPAC NameN,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCc1cccc(N(C)S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1
InChIInChI=1S/C17H18N2O3S2/c1-11-6-5-7-14(10-11)19(4)24(20,21)17-13(3)23-12(2)16(17)15-8-9-18-22-15/h5-10H,1-4H3
InChIKeyKFIGKFVGRVBOIR-UHFFFAOYSA-N
XLogP4.15
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
1-(2,5-Dimethylphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936213
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311
1-(2,3-Dimethylphenyl)-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936212
N-ethyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 20936222
2-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-1-(3-methylphenyl)piperazine
CID 20936224
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 21039659
N-methyl-N-(4-methylphenyl)-5-[3-(trifluoromethyl)-1,2-oxazol-5-yl]thiophene-2-sulfonamide
CID 45106712

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057150) is N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is Cc1cccc(N(C)S(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1.
What is the InChIKey of N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is KFIGKFVGRVBOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S2/c1-11-6-5-7-14(10-11)19(4)24(20,21)17-13(3)23-12(2)16(17)15-8-9-18-22-15/h5-10H,1-4H3.
What are the key properties of N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 362.48 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).