5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide

C12H17N3O5S3 — CID 113072599

IUPAC5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
SMILESCc1cc(N(CCNS(=O)(=O)c2ccc(C)s2)S(C)(=O)=O)no1
InChIInChI=1S/C12H17N3O5S3/c1-9-8-11(14-20-9)15(22(3,16)17)7-6-13-23(18,19)12-5-4-10(2)21-12/h4-5,8,13H,6-7H2,1-3H3
InChIKeyCWUSFCWPOCVFAT-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.10
Rot. Bonds7

About 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide

5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide (PubChem CID 113072599) has the molecular formula C12H17N3O5S3 and a molecular weight of 379.49 g/mol. Its IUPAC name is 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
PubChem CID113072599
Molecular FormulaC12H17N3O5S3
Molecular Weight379.49 g/mol
Exact Mass379.03
IUPAC Name5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
SMILESCc1cc(N(CCNS(=O)(=O)c2ccc(C)s2)S(C)(=O)=O)no1
InChIInChI=1S/C12H17N3O5S3/c1-9-8-11(14-20-9)15(22(3,16)17)7-6-13-23(18,19)12-5-4-10(2)21-12/h4-5,8,13H,6-7H2,1-3H3
InChIKeyCWUSFCWPOCVFAT-UHFFFAOYSA-N
XLogP1.10
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide
CID 113072605
5-methyl-N-[2-[methylsulfonyl(oxolan-2-ylmethyl)amino]ethyl]thiophene-2-sulfonamide
CID 113066208
tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
CID 113072577
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072565
3-fluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072535
N-[3-(dimethylamino)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147313
N-(3-methylbutyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147361
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-(5-chloro-2-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147399
3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 113147322

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide (CID 113072599) is 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide is Cc1cc(N(CCNS(=O)(=O)c2ccc(C)s2)S(C)(=O)=O)no1.
What is the InChIKey of 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
The InChIKey is CWUSFCWPOCVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S3/c1-9-8-11(14-20-9)15(22(3,16)17)7-6-13-23(18,19)12-5-4-10(2)21-12/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide?
5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide has a molecular weight of 379.49 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113072599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).