5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide

C14H14N2O3S2 — CID 110785192

IUPAC5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc2ccc(CNS(=O)(=O)c3ccc(C)s3)cc2o1
InChIInChI=1S/C14H14N2O3S2/c1-9-3-6-14(20-9)21(17,18)15-8-11-4-5-12-13(7-11)19-10(2)16-12/h3-7,15H,8H2,1-2H3
InChIKeyUGNOIBPERKAVGH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.98
Rot. Bonds4

About 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide (PubChem CID 110785192) has the molecular formula C14H14N2O3S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide
PubChem CID110785192
Molecular FormulaC14H14N2O3S2
Molecular Weight322.41 g/mol
Exact Mass322.04
IUPAC Name5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide
SMILESCc1nc2ccc(CNS(=O)(=O)c3ccc(C)s3)cc2o1
InChIInChI=1S/C14H14N2O3S2/c1-9-3-6-14(20-9)21(17,18)15-8-11-4-5-12-13(7-11)19-10(2)16-12/h3-7,15H,8H2,1-2H3
InChIKeyUGNOIBPERKAVGH-UHFFFAOYSA-N
XLogP2.98
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785688
3,5-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110785205
3-chloro-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]benzenesulfonamide
CID 110785208
5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiophene-2-sulfonamide
CID 132969309
N-[[3-(bromomethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 113271866
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)thiophene-2-sulfonamide
CID 110729074
N-[[4-(2-aminoethyl)phenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 62500636
N-[[4-(dimethylamino)-3-fluorophenyl]methyl]-5-methylthiophene-2-sulfonamide
CID 86870469
N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 86984257
N-[(5-chlorofuran-2-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 110732059
3-acetyl-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786455
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide (CID 110785192) is 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide is Cc1nc2ccc(CNS(=O)(=O)c3ccc(C)s3)cc2o1.
What is the InChIKey of 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is UGNOIBPERKAVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S2/c1-9-3-6-14(20-9)21(17,18)15-8-11-4-5-12-13(7-11)19-10(2)16-12/h3-7,15H,8H2,1-2H3.
What are the key properties of 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 322.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110785192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).