N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide

C20H22Cl2N2O2S — CID 132667716

IUPACN-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2S/c1-3-13(2)23-20(26)16-6-4-5-7-18(16)24-19(25)12-27-11-14-8-9-15(21)10-17(14)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLTLRCMKDWKPFKE-UHFFFAOYSA-N
MW425.38 g/mol
LogP5.39
Rot. Bonds8

About N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide

N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide (PubChem CID 132667716) has the molecular formula C20H22Cl2N2O2S and a molecular weight of 425.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
PubChem CID132667716
Molecular FormulaC20H22Cl2N2O2S
Molecular Weight425.38 g/mol
Exact Mass424.08
IUPAC NameN-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N2O2S/c1-3-13(2)23-20(26)16-6-4-5-7-18(16)24-19(25)12-27-11-14-8-9-15(21)10-17(14)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLTLRCMKDWKPFKE-UHFFFAOYSA-N
XLogP5.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.38
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2948356
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 134058084
N-[(2S)-butan-2-yl]-2-[(4-chloro-2-fluorophenyl)methylsulfanyl]acetamide
CID 99824619
N-butan-2-yl-2-[(2-chlorophenyl)methylsulfanyl]acetamide
CID 2889769
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]propanoic acid
CID 119225359
2-[[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]amino]-N-[(2R)-butan-2-yl]benzamide
CID 126414906
4-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]-3-methylbenzoic acid
CID 17342031
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
(2S)-N-[(2R)-butan-2-yl]-2-[[2-[(2-chlorophenyl)methylsulfanyl]acetyl]-[(2,4-dichlorophenyl)methyl]amino]butanamide
CID 100717012

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide (CID 132667716) is N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
The InChIKey is LTLRCMKDWKPFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2S/c1-3-13(2)23-20(26)16-6-4-5-7-18(16)24-19(25)12-27-11-14-8-9-15(21)10-17(14)22/h4-10,13H,3,11-12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide?
N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide has a molecular weight of 425.38 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 132667716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).