5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide

C19H16ClNO4S — CID 22554674

IUPAC5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(CS(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H16ClNO4S/c1-24-15-4-2-3-14(11-15)21-19(22)18-10-7-16(25-18)12-26(23)17-8-5-13(20)6-9-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyMUUGZHONXZWZNL-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.50
Rot. Bonds6

About 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide

5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide (PubChem CID 22554674) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
PubChem CID22554674
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccc(CS(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C19H16ClNO4S/c1-24-15-4-2-3-14(11-15)21-19(22)18-10-7-16(25-18)12-26(23)17-8-5-13(20)6-9-17/h2-11H,12H2,1H3,(H,21,22)
InChIKeyMUUGZHONXZWZNL-UHFFFAOYSA-N
XLogP4.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
1-[(4-chlorophenyl)methyl]-1-(furan-2-ylmethyl)-3-(3-methoxyphenyl)thiourea
CID 4143601
5-[(3-chlorophenoxy)methyl]-N-(3,4-dichlorophenyl)furan-2-carboxamide
CID 19446098
5-(benzenesulfinylmethyl)-N-[2-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 20859472
5-(furan-2-yl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 71690130
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554744
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
N-[2-(4-chlorophenyl)ethyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554411

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide (CID 22554674) is 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide is COc1cccc(NC(=O)c2ccc(CS(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
The InChIKey is MUUGZHONXZWZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-24-15-4-2-3-14(11-15)21-19(22)18-10-7-16(25-18)12-26(23)17-8-5-13(20)6-9-17/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide?
5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 22554674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).