(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid

C18H15NO7S2 — CID 67299062

IUPAC(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid
SMILESCOC(=O)c1cc(S(=O)(=O)N(C(=O)O)c2csc(-c3ccccc3)c2)oc1C
InChIInChI=1S/C18H15NO7S2/c1-11-14(17(20)25-2)9-16(26-11)28(23,24)19(18(21)22)13-8-15(27-10-13)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,22)
InChIKeyLUFKZCGNYKJPIS-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.98
Rot. Bonds5

About (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid

(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid (PubChem CID 67299062) has the molecular formula C18H15NO7S2 and a molecular weight of 421.45 g/mol. Its IUPAC name is (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid.

Molecular Properties

Compound Name(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid
PubChem CID67299062
Molecular FormulaC18H15NO7S2
Molecular Weight421.45 g/mol
Exact Mass421.03
IUPAC Name(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid
SMILESCOC(=O)c1cc(S(=O)(=O)N(C(=O)O)c2csc(-c3ccccc3)c2)oc1C
InChIInChI=1S/C18H15NO7S2/c1-11-14(17(20)25-2)9-16(26-11)28(23,24)19(18(21)22)13-8-15(27-10-13)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,22)
InChIKeyLUFKZCGNYKJPIS-UHFFFAOYSA-N
XLogP3.98
TPSA114.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic 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,2-dimethyl-N-(5-phenylthiophen-3-yl)benzamide
CID 67299056
2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(2-methoxyethyl)amino]acetic acid
CID 126817438
(2R)-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]butanoic acid
CID 167848056
methyl 5-[2-(4-aminophenyl)ethylsulfamoyl]-2-methylfuran-3-carboxylate
CID 120715512
3-methoxy-2-[(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonylamino]propanoic acid
CID 126803471
methyl 5-(4-aminopiperidin-1-yl)sulfonyl-2-methylfuran-3-carboxylate
CID 119959348
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
methyl 2-methyl-5-[(Z)-(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]furan-3-carboxylate
CID 17453114
methyl 2-methyl-5-[2-(propylamino)ethylsulfamoyl]furan-3-carboxylate
CID 120715852
methyl 2-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]-4-phenylthiophene-3-carboxylate
CID 18808871
methyl 2-methyl-5-[2-(tetrazol-2-yl)ethylsulfamoyl]furan-3-carboxylate
CID 146090438

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid?
The IUPAC name of (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid (CID 67299062) is (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid.
What is the SMILES notation for (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid?
The canonical SMILES for (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid is COC(=O)c1cc(S(=O)(=O)N(C(=O)O)c2csc(-c3ccccc3)c2)oc1C.
What is the InChIKey of (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid?
The InChIKey is LUFKZCGNYKJPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO7S2/c1-11-14(17(20)25-2)9-16(26-11)28(23,24)19(18(21)22)13-8-15(27-10-13)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,21,22).
What are the key properties of (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid?
(4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid has a molecular weight of 421.45 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-5-methylfuran-2-yl)sulfonyl-(5-phenylthiophen-3-yl)carbamic acid is sourced from PubChem (CID 67299062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).