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

C17H19NO2S — CID 4207389

IUPACN-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(CSCc2ccc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C17H19NO2S/c1-12-2-4-13(5-3-12)10-21-11-15-8-9-16(20-15)17(19)18-14-6-7-14/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyWTMDQRUYOZURPG-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.91
Rot. Bonds6

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

N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (PubChem CID 4207389) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
PubChem CID4207389
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
SMILESCc1ccc(CSCc2ccc(C(=O)NC3CC3)o2)cc1
InChIInChI=1S/C17H19NO2S/c1-12-2-4-13(5-3-12)10-21-11-15-8-9-16(20-15)17(19)18-14-6-7-14/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,19)
InChIKeyWTMDQRUYOZURPG-UHFFFAOYSA-N
XLogP3.91
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide (CID 4207389) is N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is Cc1ccc(CSCc2ccc(C(=O)NC3CC3)o2)cc1.
What is the InChIKey of N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
The InChIKey is WTMDQRUYOZURPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-2-4-13(5-3-12)10-21-11-15-8-9-16(20-15)17(19)18-14-6-7-14/h2-5,8-9,14H,6-7,10-11H2,1H3,(H,18,19).
What are the key properties of N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide?
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 4207389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).