2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide

C20H22N2O4S — CID 56809035

IUPAC2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)s2)o1
InChIInChI=1S/C20H22N2O4S/c1-13-5-7-15(25-13)11-21(3)19(23)17-9-10-18(27-17)20(24)22(4)12-16-8-6-14(2)26-16/h5-10H,11-12H2,1-4H3
InChIKeyVVKGDILZYUUOND-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.10
Rot. Bonds6

About 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide

2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide (PubChem CID 56809035) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
PubChem CID56809035
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)s2)o1
InChIInChI=1S/C20H22N2O4S/c1-13-5-7-15(25-13)11-21(3)19(23)17-9-10-18(27-17)20(24)22(4)12-16-8-6-14(2)26-16/h5-10H,11-12H2,1-4H3
InChIKeyVVKGDILZYUUOND-UHFFFAOYSA-N
XLogP4.10
TPSA66.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide with MolForge

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Related Compounds

4,5-dibromo-N-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 2494689
N-[(5-bromofuran-2-yl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 71690397
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7535670
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
3-hydroxy-N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 82786543
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484
N,6-dimethyl-N-[(5-methylfuran-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103696217
1-methyl-1-[(5-methylfuran-2-yl)methyl]guanidine
CID 60723769
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
2,3,5-trichloro-6-hydroxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 112820841
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-methylsulfonylbenzamide
CID 2461260

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide (CID 56809035) is 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide is Cc1ccc(CN(C)C(=O)c2ccc(C(=O)N(C)Cc3ccc(C)o3)s2)o1.
What is the InChIKey of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide?
The InChIKey is VVKGDILZYUUOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13-5-7-15(25-13)11-21(3)19(23)17-9-10-18(27-17)20(24)22(4)12-16-8-6-14(2)26-16/h5-10H,11-12H2,1-4H3.
What are the key properties of 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide?
2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide has a molecular weight of 386.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dimethyl-2-N,5-N-bis[(5-methylfuran-2-yl)methyl]thiophene-2,5-dicarboxamide is sourced from PubChem (CID 56809035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).