N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide

C20H23ClN2O2S — CID 126117235

IUPACN-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)12-13-26-16-10-8-15(21)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyZPPIMSNUTZBBCU-CQSZACIVSA-N
MW390.94 g/mol
LogP4.99
Rot. Bonds8

About N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide

N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide (PubChem CID 126117235) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
PubChem CID126117235
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
SMILESCC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN2O2S/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)12-13-26-16-10-8-15(21)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1
InChIKeyZPPIMSNUTZBBCU-CQSZACIVSA-N
XLogP4.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
CID 34736203
N-[(2S)-butan-2-yl]-2-[[(2S)-2-(4-chlorophenyl)sulfanylbutanoyl]amino]benzamide
CID 28570718
N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]amino]benzamide
CID 26706384
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
N-butan-2-yl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 133251866
N-butan-2-yl-2-[[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 132667716
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 26254416
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
N-butan-2-yl-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2948356
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
CID 2990149
N-butan-2-yl-2-(4-chlorophenyl)sulfanylacetamide
CID 3139102
N-[(2S)-butan-2-yl]-2-(4-chlorophenyl)sulfanylacetamide
CID 722549

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide (CID 126117235) is N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide is CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCSc1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide?
The InChIKey is ZPPIMSNUTZBBCU-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-3-14(2)22-20(25)17-6-4-5-7-18(17)23-19(24)12-13-26-16-10-8-15(21)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide?
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide has a molecular weight of 390.94 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide is sourced from PubChem (CID 126117235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).