5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid

C21H20N2O4S2 — CID 143082094

IUPAC5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid
SMILES[H]/N=C/c1c(CC)sc(C(=O)O)c1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H20N2O4S2/c1-3-18-17(12-22)19(20(28-18)21(24)25)14-9-7-13(8-10-14)15-5-4-6-16(11-15)23-29(2,26)27/h4-12,22-23H,3H2,1-2H3,(H,24,25)/b22-12+
InChIKeyPQDRHKVSXOPNNO-WSDLNYQXSA-N
MW428.54 g/mol
LogP4.71
Rot. Bonds7

About 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid

5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid (PubChem CID 143082094) has the molecular formula C21H20N2O4S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid
PubChem CID143082094
Molecular FormulaC21H20N2O4S2
Molecular Weight428.54 g/mol
Exact Mass428.09
IUPAC Name5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid
SMILES[H]/N=C/c1c(CC)sc(C(=O)O)c1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1
InChIInChI=1S/C21H20N2O4S2/c1-3-18-17(12-22)19(20(28-18)21(24)25)14-9-7-13(8-10-14)15-5-4-6-16(11-15)23-29(2,26)27/h4-12,22-23H,3H2,1-2H3,(H,24,25)/b22-12+
InChIKeyPQDRHKVSXOPNNO-WSDLNYQXSA-N
XLogP4.71
TPSA107.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-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

N-[3-[4-(hydrazinecarbonyl)-3-methoxyphenyl]phenyl]methanesulfonamide
CID 68525317
3-[4-[3-(acetamidomethyl)phenyl]phenyl]-4-cyano-5-ethylthiophene-2-carboxylic acid
CID 91095883
N-[3-(4-hydroxy-3-methoxyphenyl)phenyl]methanesulfonamide
CID 53221096
methyl 4-[3-(methanesulfonamido)phenyl]-2-methoxybenzoate
CID 68527353
N-[3-(2-methyl-2,3-dihydro-1H-inden-5-yl)phenyl]methanesulfonamide
CID 155428735
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
diazene;ethane;N-phenylmethanesulfonamide
CID 164925961
N-[3-[3-amino-2-(3-methoxybenzoyl)-1-benzothiophen-6-yl]phenyl]methanesulfonamide
CID 59691901
3-[3-(methanesulfonamido)phenyl]pyridine-4-carboxylic acid
CID 53224449
N-[3-[5-[4-(methanesulfonamido)phenyl]-3-pyridinyl]phenyl]acetamide
CID 155560591
N-[3-[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]phenyl]methanesulfonamide
CID 23353494

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid?
The IUPAC name of 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid (CID 143082094) is 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid?
The canonical SMILES for 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid is [H]/N=C/c1c(CC)sc(C(=O)O)c1-c1ccc(-c2cccc(NS(C)(=O)=O)c2)cc1.
What is the InChIKey of 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid?
The InChIKey is PQDRHKVSXOPNNO-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H20N2O4S2/c1-3-18-17(12-22)19(20(28-18)21(24)25)14-9-7-13(8-10-14)15-5-4-6-16(11-15)23-29(2,26)27/h4-12,22-23H,3H2,1-2H3,(H,24,25)/b22-12+.
What are the key properties of 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid?
5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid has a molecular weight of 428.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[4-[3-(methanesulfonamido)phenyl]phenyl]-4-methanimidoylthiophene-2-carboxylic acid is sourced from PubChem (CID 143082094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).