N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

C17H18N2O4S2 — CID 53057124

IUPACN-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1
InChIInChI=1S/C17H18N2O4S2/c1-11-16(15-7-8-18-23-15)17(12(2)24-11)25(20,21)19-10-13-5-4-6-14(9-13)22-3/h4-9,19H,10H2,1-3H3
InChIKeyNZLSLVAJSDWYIY-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.51
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide

N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (PubChem CID 53057124) has the molecular formula C17H18N2O4S2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
PubChem CID53057124
Molecular FormulaC17H18N2O4S2
Molecular Weight378.48 g/mol
Exact Mass378.07
IUPAC NameN-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
SMILESCOc1cccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1
InChIInChI=1S/C17H18N2O4S2/c1-11-16(15-7-8-18-23-15)17(12(2)24-11)25(20,21)19-10-13-5-4-6-14(9-13)22-3/h4-9,19H,10H2,1-3H3
InChIKeyNZLSLVAJSDWYIY-UHFFFAOYSA-N
XLogP3.51
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025252
N-[4-(difluoromethoxy)phenyl]-5-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 21039564
N-[(3-methoxyphenyl)methyl]-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
CID 16025228
N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-4-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50839523
N-[(2-methoxyphenyl)methyl]-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840089
N-[(3-methoxyphenyl)methyl]-2-methyl-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-3-sulfonamide
CID 50840090
2,5-dimethyl-N-(4-methylcyclohexyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057131
2,5-dimethyl-N-(3-methylphenyl)-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057157
2,5-dimethyl-4-(1,2-oxazol-5-yl)-N-phenylthiophene-3-sulfonamide
CID 53057159
4-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 53057290
N-Benzyl-2-methyl-5-(3-methyl-1,2-oxazol-5-YL)thiophene-3-sulfonamide
CID 53079329
5-(3,4-Dimethyl-1,2-oxazol-5-YL)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53112099

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide (CID 53057124) is N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is COc1cccc(CNS(=O)(=O)c2c(C)sc(C)c2-c2ccno2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
The InChIKey is NZLSLVAJSDWYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S2/c1-11-16(15-7-8-18-23-15)17(12(2)24-11)25(20,21)19-10-13-5-4-6-14(9-13)22-3/h4-9,19H,10H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide?
N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide has a molecular weight of 378.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 53057124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).