methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate

C16H19NO4S2 — CID 8842307

IUPACmethyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C16H19NO4S2/c1-10(2)12-5-7-13(8-6-12)23(19,20)17-14-9-11(3)15(22-14)16(18)21-4/h5-10,17H,1-4H3
InChIKeyMZHQLPWFXNGRST-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.77
Rot. Bonds5

About methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate

methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate (PubChem CID 8842307) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
PubChem CID8842307
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Namemethyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C
InChIInChI=1S/C16H19NO4S2/c1-10(2)12-5-7-13(8-6-12)23(19,20)17-14-9-11(3)15(22-14)16(18)21-4/h5-10,17H,1-4H3
InChIKeyMZHQLPWFXNGRST-UHFFFAOYSA-N
XLogP3.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842360
methyl 5-[(4-acetamido-3-methoxyphenyl)sulfonylamino]-3-methylthiophene-2-carboxylate
CID 8842336
methyl 3-methyl-5-(thiophen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 8842276
3-methyl-5-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771942
methyl 3-methyl-5-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 8842372
5-[(3,4-difluorophenyl)sulfonylamino]-3-methylthiophene-2-carboxylic acid
CID 43343916
ethyl 3-methyl-5-[(4-propan-2-ylbenzoyl)amino]thiophene-2-carboxylate
CID 2353845
dipropan-2-yl 5-[(4-propan-2-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773039
methyl 4-[4-[(4-propan-2-ylphenyl)sulfamoyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate
CID 2811381
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
methyl 3-amino-4-methyl-5-(4-propan-2-ylphenyl)thiophene-2-carboxylate
CID 63398957
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate (CID 8842307) is methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate is COC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc1C.
What is the InChIKey of methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate?
The InChIKey is MZHQLPWFXNGRST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-10(2)12-5-7-13(8-6-12)23(19,20)17-14-9-11(3)15(22-14)16(18)21-4/h5-10,17H,1-4H3.
What are the key properties of methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate?
methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate has a molecular weight of 353.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[(4-propan-2-ylphenyl)sulfonylamino]thiophene-2-carboxylate is sourced from PubChem (CID 8842307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).