5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

C19H19NO2S2 — CID 3659648

IUPAC5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CSCc2ccc(C(=O)NCc3cccs3)o2)cc1
InChIInChI=1S/C19H19NO2S2/c1-14-4-6-15(7-5-14)12-23-13-16-8-9-18(22-16)19(21)20-11-17-3-2-10-24-17/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyNHJIIGORUZGPOU-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.01
Rot. Bonds7

About 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide

5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (PubChem CID 3659648) has the molecular formula C19H19NO2S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
PubChem CID3659648
Molecular FormulaC19H19NO2S2
Molecular Weight357.50 g/mol
Exact Mass357.09
IUPAC Name5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
SMILESCc1ccc(CSCc2ccc(C(=O)NCc3cccs3)o2)cc1
InChIInChI=1S/C19H19NO2S2/c1-14-4-6-15(7-5-14)12-23-13-16-8-9-18(22-16)19(21)20-11-17-3-2-10-24-17/h2-10H,11-13H2,1H3,(H,20,21)
InChIKeyNHJIIGORUZGPOU-UHFFFAOYSA-N
XLogP5.01
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3252059
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(thiophen-2-ylmethyl)benzamide
CID 134030447
2-[(4-methylphenyl)methylcarbamoylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 46571619
4-(chloromethyl)-5-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 82109127
N-benzyl-5-[(3-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5085443
N-butyl-5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 3358106
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2-(3,4-dimethylphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 2675121
N-benzyl-5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 5054167
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide (CID 3659648) is 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is Cc1ccc(CSCc2ccc(C(=O)NCc3cccs3)o2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
The InChIKey is NHJIIGORUZGPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S2/c1-14-4-6-15(7-5-14)12-23-13-16-8-9-18(22-16)19(21)20-11-17-3-2-10-24-17/h2-10H,11-13H2,1H3,(H,20,21).
What are the key properties of 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide?
5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylsulfanylmethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 3659648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).