5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid

C14H17NO5S2 — CID 99775173

IUPAC5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)[C@@H](C)Cc1cccs1
InChIInChI=1S/C14H17NO5S2/c1-9(7-11-5-4-6-21-11)15(3)22(18,19)13-8-12(14(16)17)20-10(13)2/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyGCEMPDAYLYMNEB-VIFPVBQESA-N
MW343.43 g/mol
LogP2.60
Rot. Bonds6

About 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid

5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid (PubChem CID 99775173) has the molecular formula C14H17NO5S2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
PubChem CID99775173
Molecular FormulaC14H17NO5S2
Molecular Weight343.43 g/mol
Exact Mass343.05
IUPAC Name5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)N(C)[C@@H](C)Cc1cccs1
InChIInChI=1S/C14H17NO5S2/c1-9(7-11-5-4-6-21-11)15(3)22(18,19)13-8-12(14(16)17)20-10(13)2/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyGCEMPDAYLYMNEB-VIFPVBQESA-N
XLogP2.60
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
5-bromo-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488960
4-[2-hydroxypropyl(methyl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805254
4-amino-2-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79471427
5-methyl-4-(2-thiophen-2-ylethylsulfamoyl)furan-2-carboxylic acid
CID 62803418
5-bromo-4-(1-thiophen-2-ylpropan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 62830912
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491901
5-methyl-4-[methyl(propyl)sulfamoyl]furan-2-carboxylic acid
CID 62804138
3-(chloromethyl)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79491521
2-bromo-4-fluoro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 79488959
5-bromo-4-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-sulfonamide
CID 80580037
5-bromo-4-[ethyl(thiophen-2-ylmethyl)sulfamoyl]furan-2-carboxylic acid
CID 62830397

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid (CID 99775173) is 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)[C@@H](C)Cc1cccs1.
What is the InChIKey of 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid?
The InChIKey is GCEMPDAYLYMNEB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17NO5S2/c1-9(7-11-5-4-6-21-11)15(3)22(18,19)13-8-12(14(16)17)20-10(13)2/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid?
5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid has a molecular weight of 343.43 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]sulfamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 99775173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).