N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide

C20H24N2O2S — CID 2990149

IUPACN-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CCSc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)13-14-25-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRTIXAUJYALKFQG-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.34
Rot. Bonds6

About N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide

N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide (PubChem CID 2990149) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
PubChem CID2990149
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1NC(=O)CCSc1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)13-14-25-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRTIXAUJYALKFQG-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminobutanoylamino)-N-tert-butylbenzamide
CID 119280575
N-tert-butyl-2-(3-methylsulfonylpropanoylamino)benzamide
CID 56782844
2-methoxyethyl 4-[2-(tert-butylcarbamoyl)anilino]-4-oxobutanoate
CID 17339119
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
N-(2-chlorophenyl)-3-phenylsulfanylpropanamide
CID 7965800
N-[(2R)-butan-2-yl]-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzamide
CID 126117235
N-tert-butyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]benzamide
CID 94642296
2-[(2-benzylsulfonylacetyl)amino]-N-tert-butylbenzamide
CID 17256954
N,N-diethyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]benzamide
CID 86835480
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
N-tert-butyl-2-[4-(2,4-dichlorophenoxy)butanoylamino]benzamide
CID 4530961

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide?
The IUPAC name of N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide (CID 2990149) is N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide.
What is the SMILES notation for N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide?
The canonical SMILES for N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide is CC(C)(C)NC(=O)c1ccccc1NC(=O)CCSc1ccccc1.
What is the InChIKey of N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide?
The InChIKey is RTIXAUJYALKFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-20(2,3)22-19(24)16-11-7-8-12-17(16)21-18(23)13-14-25-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide?
N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-phenylsulfanylpropanoylamino)benzamide is sourced from PubChem (CID 2990149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).