N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide

C18H21NO4S — CID 5309672

IUPACN-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCC2)o1
InChIInChI=1S/C18H21NO4S/c1-22-15-8-4-5-9-17(15)24(21)12-14-10-11-16(23-14)18(20)19-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,19,20)
InChIKeyPZWUKSANLZBXDO-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.27
Rot. Bonds6

About N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide

N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 5309672) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID5309672
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC NameN-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCC2)o1
InChIInChI=1S/C18H21NO4S/c1-22-15-8-4-5-9-17(15)24(21)12-14-10-11-16(23-14)18(20)19-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,19,20)
InChIKeyPZWUKSANLZBXDO-UHFFFAOYSA-N
XLogP3.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859562
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-(4-methylcyclohexyl)-5-[(4-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 20859500
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
N-[2-(2,5-dimethoxyphenyl)ethyl]-5-[(2-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554556
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-cyclopentyl-5-[(2-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207390
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-cycloheptyl-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453107
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (CID 5309672) is N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is COc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCC2)o1.
What is the InChIKey of N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is PZWUKSANLZBXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-22-15-8-4-5-9-17(15)24(21)12-14-10-11-16(23-14)18(20)19-13-6-2-3-7-13/h4-5,8-11,13H,2-3,6-7,12H2,1H3,(H,19,20).
What are the key properties of N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[(2-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 5309672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).