N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide

C30H26Cl2N2O3S — CID 18902615

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C30H26Cl2N2O3S/c1-19-15-26(27(37-2)18-25(19)32)34-30(36)29(21-7-4-3-5-8-21)38-24-10-6-9-23(17-24)33-28(35)16-20-11-13-22(31)14-12-20/h3-15,17-18,29H,16H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyCKIDCXUPXQSAON-UHFFFAOYSA-N
MW565.52 g/mol
LogP7.96
Rot. Bonds9

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide (PubChem CID 18902615) has the molecular formula C30H26Cl2N2O3S and a molecular weight of 565.52 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
PubChem CID18902615
Molecular FormulaC30H26Cl2N2O3S
Molecular Weight565.52 g/mol
Exact Mass564.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)c1ccccc1
InChIInChI=1S/C30H26Cl2N2O3S/c1-19-15-26(27(37-2)18-25(19)32)34-30(36)29(21-7-4-3-5-8-21)38-24-10-6-9-23(17-24)33-28(35)16-20-11-13-22(31)14-12-20/h3-15,17-18,29H,16H2,1-2H3,(H,33,35)(H,34,36)
InChIKeyCKIDCXUPXQSAON-UHFFFAOYSA-N
XLogP7.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.52
LogP ≤ 57.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenyl-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 21168334
N-[3-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904055
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(2,4-dichlorophenyl)-2-phenylacetamide
CID 18902600
N-(4-chlorophenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide
CID 18902594
2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 19317360
4-chloro-3-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902641
N-(4-chlorophenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906050
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 18902614
2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 18902620
4-[[2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetyl]amino]benzoic acid
CID 18902642
N-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904059
N-(2,6-dimethylphenyl)-2-phenyl-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylacetamide
CID 18906081

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide (CID 18902615) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide is COc1cc(Cl)c(C)cc1NC(=O)C(Sc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)c1ccccc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
The InChIKey is CKIDCXUPXQSAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2N2O3S/c1-19-15-26(27(37-2)18-25(19)32)34-30(36)29(21-7-4-3-5-8-21)38-24-10-6-9-23(17-24)33-28(35)16-20-11-13-22(31)14-12-20/h3-15,17-18,29H,16H2,1-2H3,(H,33,35)(H,34,36).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide has a molecular weight of 565.52 g/mol, XLogP of 7.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-2-phenylacetamide is sourced from PubChem (CID 18902615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).