N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide

C14H17NO2S — CID 78798582

IUPACN,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2sccc2C)c(C)o1
InChIInChI=1S/C14H17NO2S/c1-9-5-6-18-13(9)8-15(4)14(16)12-7-10(2)17-11(12)3/h5-7H,8H2,1-4H3
InChIKeyVERLBFFYVDTSGI-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.54
Rot. Bonds3

About N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide

N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide (PubChem CID 78798582) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
PubChem CID78798582
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC NameN,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2sccc2C)c(C)o1
InChIInChI=1S/C14H17NO2S/c1-9-5-6-18-13(9)8-15(4)14(16)12-7-10(2)17-11(12)3/h5-7H,8H2,1-4H3
InChIKeyVERLBFFYVDTSGI-UHFFFAOYSA-N
XLogP3.54
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427
N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-4-sulfamoylfuran-2-carboxamide
CID 71855621
2-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 60718810
2-benzoyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 39951443
N-[(3-aminophenyl)methyl]-N,2,5-trimethylfuran-3-carboxamide
CID 43457798
2,5-dichloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 114917417
4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
N,2-dimethyl-5-(methylsulfamoyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 51328637
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
5-chloro-N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625427

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide (CID 78798582) is N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)N(C)Cc2sccc2C)c(C)o1.
What is the InChIKey of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
The InChIKey is VERLBFFYVDTSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-9-5-6-18-13(9)8-15(4)14(16)12-7-10(2)17-11(12)3/h5-7H,8H2,1-4H3.
What are the key properties of N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide?
N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide has a molecular weight of 263.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 78798582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).