N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

C20H24N2O2S — CID 34736203

IUPACN-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C20H24N2O2S/c1-4-15(3)21-20(24)17-7-5-6-8-18(17)22-19(23)13-25-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyXWDWPGXJKVLBAT-HNNXBMFYSA-N
MW356.49 g/mol
LogP4.25
Rot. Bonds7

About N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide (PubChem CID 34736203) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
PubChem CID34736203
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide
SMILESCC[C@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1
InChIInChI=1S/C20H24N2O2S/c1-4-15(3)21-20(24)17-7-5-6-8-18(17)22-19(23)13-25-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyXWDWPGXJKVLBAT-HNNXBMFYSA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
N-[(2S)-butan-2-yl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515328
N-[(2R)-butan-2-yl]-2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]benzamide
CID 34735632
N-butan-2-yl-2-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]benzamide
CID 2948356
N-[(2S)-butan-2-yl]-2-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzamide
CID 26076171
2-[[2-[4-[(4-methylbenzoyl)amino]phenyl]sulfanylacetyl]amino]benzamide
CID 22777221

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide (CID 34736203) is N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide is CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
The InChIKey is XWDWPGXJKVLBAT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-4-15(3)21-20(24)17-7-5-6-8-18(17)22-19(23)13-25-16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide?
N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide is sourced from PubChem (CID 34736203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).