N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

C23H18ClNO2S2 — CID 18227464

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1SCc1cccs1
InChIInChI=1S/C23H18ClNO2S2/c24-17-9-7-16(8-10-17)21-12-11-18(27-21)14-25-23(26)20-5-1-2-6-22(20)29-15-19-4-3-13-28-19/h1-13H,14-15H2,(H,25,26)
InChIKeyNDPQIYWPDCBQNS-UHFFFAOYSA-N
MW439.99 g/mol
LogP6.88
Rot. Bonds7

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 18227464) has the molecular formula C23H18ClNO2S2 and a molecular weight of 439.99 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID18227464
Molecular FormulaC23H18ClNO2S2
Molecular Weight439.99 g/mol
Exact Mass439.05
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1SCc1cccs1
InChIInChI=1S/C23H18ClNO2S2/c24-17-9-7-16(8-10-17)21-12-11-18(27-21)14-25-23(26)20-5-1-2-6-22(20)29-15-19-4-3-13-28-19/h1-13H,14-15H2,(H,25,26)
InChIKeyNDPQIYWPDCBQNS-UHFFFAOYSA-N
XLogP6.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzamide
CID 46551445
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
2-chloro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 119101790
N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-chlorobenzamide
CID 9204124
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
4-chloro-2-methyl-N-[(5-phenylfuran-2-yl)methyl]benzamide
CID 166341635
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 18227464) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1SCc1cccs1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is NDPQIYWPDCBQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO2S2/c24-17-9-7-16(8-10-17)21-12-11-18(27-21)14-25-23(26)20-5-1-2-6-22(20)29-15-19-4-3-13-28-19/h1-13H,14-15H2,(H,25,26).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 439.99 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 18227464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).