N-(2-methylsulfanylphenyl)furan-2-carboxamide

C12H11NO2S — CID 723997

IUPACN-(2-methylsulfanylphenyl)furan-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C12H11NO2S/c1-16-11-7-3-2-5-9(11)13-12(14)10-6-4-8-15-10/h2-8H,1H3,(H,13,14)
InChIKeyCLVLYTURWDSNSY-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.25
Rot. Bonds3

About N-(2-methylsulfanylphenyl)furan-2-carboxamide

N-(2-methylsulfanylphenyl)furan-2-carboxamide (PubChem CID 723997) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)furan-2-carboxamide
PubChem CID723997
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC NameN-(2-methylsulfanylphenyl)furan-2-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccco1
InChIInChI=1S/C12H11NO2S/c1-16-11-7-3-2-5-9(11)13-12(14)10-6-4-8-15-10/h2-8H,1H3,(H,13,14)
InChIKeyCLVLYTURWDSNSY-UHFFFAOYSA-N
XLogP3.25
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)furan-2-carboxamide
CID 785196
N-Phenyl-2-furancarboxamide
CID 220406
N-(3-fluorophenyl)furan-2-carboxamide
CID 306831
4'-Methoxy-2-furanilide
CID 303388
N-(4-Fluorophenyl)-2-furamide
CID 531893
N-(3,4-difluorophenyl)furan-2-carboxamide
CID 743722
N-[(1Z)-3-[(2-methoxyphenyl)amino]-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 1591814
N-(3-methoxyphenyl)furan-2-carboxamide
CID 669405
N-(2-methylphenyl)-2-furamide
CID 2246088
Methyl 2-[4-(furan-2-carbonylamino)phenoxy]acetate
CID 892442
N-[4-(phenylsulfanylmethyl)phenyl]furan-2-carboxamide
CID 975641
N-{4-[(cyclopropylcarbonyl)amino]phenyl}furan-2-carboxamide
CID 976793

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)furan-2-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)furan-2-carboxamide (CID 723997) is N-(2-methylsulfanylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)furan-2-carboxamide is CSc1ccccc1NC(=O)c1ccco1.
What is the InChIKey of N-(2-methylsulfanylphenyl)furan-2-carboxamide?
The InChIKey is CLVLYTURWDSNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-16-11-7-3-2-5-9(11)13-12(14)10-6-4-8-15-10/h2-8H,1H3,(H,13,14).
What are the key properties of N-(2-methylsulfanylphenyl)furan-2-carboxamide?
N-(2-methylsulfanylphenyl)furan-2-carboxamide has a molecular weight of 233.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)furan-2-carboxamide is sourced from PubChem (CID 723997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).