methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate

C19H17NO4S — CID 2241755

IUPACmethyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccco1
InChIInChI=1S/C19H17NO4S/c1-11-6-7-13(9-12(11)2)14-10-25-18(16(14)19(22)23-3)20-17(21)15-5-4-8-24-15/h4-10H,1-3H3,(H,20,21)
InChIKeyDNATVZSLMCXNQN-UHFFFAOYSA-N
MW355.42 g/mol
LogP4.66
Rot. Bonds4

About methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate

methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 2241755) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
PubChem CID2241755
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Namemethyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccco1
InChIInChI=1S/C19H17NO4S/c1-11-6-7-13(9-12(11)2)14-10-25-18(16(14)19(22)23-3)20-17(21)15-5-4-8-24-15/h4-10H,1-3H3,(H,20,21)
InChIKeyDNATVZSLMCXNQN-UHFFFAOYSA-N
XLogP4.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(furan-2-carbonylamino)-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1181756
methyl 4-(3,4-dimethylphenyl)-2-[(3,4,5-trimethoxybenzoyl)amino]thiophene-3-carboxylate
CID 2241808
methyl 2-[(3,4-dichlorobenzoyl)amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 2241844
ethyl 4-(3,4-dimethylphenyl)-2-[(2-methylfuran-3-carbonyl)amino]thiophene-3-carboxylate
CID 1009163
(1R,6S)-6-[[4-(3,4-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 2168531
ethyl 2-acetamido-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 734061
dimethyl 5-(furan-2-carbonylamino)-3-methylthiophene-2,4-dicarboxylate
CID 843075
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate
CID 2241891
methyl 4-(4-bromophenyl)-2-[(5-methylfuran-2-carbonyl)amino]thiophene-3-carboxylate
CID 1000679
methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate
CID 55876306
methyl 4-(4-methylphenyl)-2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 1012402
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate (CID 2241755) is methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccco1.
What is the InChIKey of methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is DNATVZSLMCXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-11-6-7-13(9-12(11)2)14-10-25-18(16(14)19(22)23-3)20-17(21)15-5-4-8-24-15/h4-10H,1-3H3,(H,20,21).
What are the key properties of methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate?
methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 355.42 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethylphenyl)-2-(furan-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 2241755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).