5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide

C23H24ClNO4S — CID 92687538

IUPAC5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H24ClNO4S/c1-16(2)28-20-9-5-17(6-10-20)13-25-23(26)22-12-11-21(29-22)15-30(27)14-18-3-7-19(24)8-4-18/h3-12,16H,13-15H2,1-2H3,(H,25,26)/t30-/m1/s1
InChIKeySINXYJXNDSMRHH-SSEXGKCCSA-N
MW445.97 g/mol
LogP5.10
Rot. Bonds9

About 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide

5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide (PubChem CID 92687538) has the molecular formula C23H24ClNO4S and a molecular weight of 445.97 g/mol. Its IUPAC name is 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
PubChem CID92687538
Molecular FormulaC23H24ClNO4S
Molecular Weight445.97 g/mol
Exact Mass445.11
IUPAC Name5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C23H24ClNO4S/c1-16(2)28-20-9-5-17(6-10-20)13-25-23(26)22-12-11-21(29-22)15-30(27)14-18-3-7-19(24)8-4-18/h3-12,16H,13-15H2,1-2H3,(H,25,26)/t30-/m1/s1
InChIKeySINXYJXNDSMRHH-SSEXGKCCSA-N
XLogP5.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.97
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3-chlorophenyl)methylsulfinylmethyl]-N-[(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 20899478
N-[(3-methoxyphenyl)methyl]-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899333
N-[(4-chlorophenyl)methyl]-5-[(2-chlorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554587
1-[(4-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]imidazole-2-carboxamide
CID 20964832
5-[(4-methylphenyl)methylsulfinylmethyl]-N-propylfuran-2-carboxamide
CID 20899328
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-(3-methoxypropyl)-5-[(4-methylphenyl)methylsulfinylmethyl]furan-2-carboxamide
CID 20899338
3,5-dichloro-4-methoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55588763
N-[(4-chlorophenyl)methyl]-3-(4-propan-2-yloxyphenyl)sulfonylpropanamide
CID 110298420
2-(4-chlorophenyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 50874755
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498
3-chloro-4-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 100564569

Frequently Asked Questions

What is the IUPAC name of 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide (CID 92687538) is 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide is CC(C)Oc1ccc(CNC(=O)c2ccc(C[S@](=O)Cc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is SINXYJXNDSMRHH-SSEXGKCCSA-N. The full InChI is InChI=1S/C23H24ClNO4S/c1-16(2)28-20-9-5-17(6-10-20)13-25-23(26)22-12-11-21(29-22)15-30(27)14-18-3-7-19(24)8-4-18/h3-12,16H,13-15H2,1-2H3,(H,25,26)/t30-/m1/s1.
What are the key properties of 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide?
5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 445.97 g/mol, XLogP of 5.10, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(R)-(4-chlorophenyl)methylsulfinyl]methyl]-N-[(4-propan-2-yloxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 92687538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).