4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C14H21NO4S2 — CID 63329128

IUPAC4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H21NO4S2/c1-10-13(8-12(20-10)14(16)17)21(18,19)15(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyVXANOWCXNZKPHK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.96
Rot. Bonds5

About 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63329128) has the molecular formula C14H21NO4S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63329128
Molecular FormulaC14H21NO4S2
Molecular Weight331.46 g/mol
Exact Mass331.09
IUPAC Name4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1CCCCC1
InChIInChI=1S/C14H21NO4S2/c1-10-13(8-12(20-10)14(16)17)21(18,19)15(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyVXANOWCXNZKPHK-UHFFFAOYSA-N
XLogP2.96
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[cyclopropylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 55200554
5-methyl-4-[methyl(oxolan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63329006
5-bromo-4-[cyclopropylmethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60952478
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328778
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
4-[(1-hydroxycyclopentyl)methyl-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114948667
5-methyl-4-[methyl(2-methylsulfanylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 112657989
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-[cyclopropylmethyl(methyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950394
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-sulfonamide
CID 79994846
4-[3-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-5-methylthiophene-2-carboxylic acid
CID 107214999
4-[(1-hydroxy-2-methylpropan-2-yl)-methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 113475560

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63329128) is 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)CC1CCCCC1.
What is the InChIKey of 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is VXANOWCXNZKPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S2/c1-10-13(8-12(20-10)14(16)17)21(18,19)15(2)9-11-6-4-3-5-7-11/h8,11H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 331.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylmethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63329128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).