4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide

C24H21ClN2O2S — CID 46553938

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O2S/c25-19-7-13-22(14-8-19)30-15-16-1-3-17(4-2-16)23(28)26-20-9-5-18(6-10-20)24(29)27-21-11-12-21/h1-10,13-14,21H,11-12,15H2,(H,26,28)(H,27,29)
InChIKeyQRBMXPHLDXSXTR-UHFFFAOYSA-N
MW436.96 g/mol
LogP5.78
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide (PubChem CID 46553938) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
PubChem CID46553938
Molecular FormulaC24H21ClN2O2S
Molecular Weight436.96 g/mol
Exact Mass436.10
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21ClN2O2S/c25-19-7-13-22(14-8-19)30-15-16-1-3-17(4-2-16)23(28)26-20-9-5-18(6-10-20)24(29)27-21-11-12-21/h1-10,13-14,21H,11-12,15H2,(H,26,28)(H,27,29)
InChIKeyQRBMXPHLDXSXTR-UHFFFAOYSA-N
XLogP5.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.96
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
N-(3-chlorophenyl)-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 3097669
N-cyclopropyl-4-[(2,5-dichlorophenyl)sulfanylmethyl]benzamide
CID 8623361
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]acetamide
CID 71199638
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 8815839
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
cis-(1R,3S)-3-[[4-(phenylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678421
N-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]-2,4-difluorobenzamide
CID 3754740
N-cyclopropyl-4-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]benzamide
CID 55489180
1-N-cyclopropyl-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043370
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide (CID 46553938) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide is O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide?
The InChIKey is QRBMXPHLDXSXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c25-19-7-13-22(14-8-19)30-15-16-1-3-17(4-2-16)23(28)26-20-9-5-18(6-10-20)24(29)27-21-11-12-21/h1-10,13-14,21H,11-12,15H2,(H,26,28)(H,27,29).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide has a molecular weight of 436.96 g/mol, XLogP of 5.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[4-(cyclopropylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 46553938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).