N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide

C20H24N2O2S — CID 78773494

IUPACN-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-13(2)19(23)21-15-9-11-16(12-10-15)22-20(24)17-7-5-6-8-18(17)25-14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyDNAZWSKJIZSFFR-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.03
Rot. Bonds6

About N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide

N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide (PubChem CID 78773494) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
PubChem CID78773494
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
InChIInChI=1S/C20H24N2O2S/c1-13(2)19(23)21-15-9-11-16(12-10-15)22-20(24)17-7-5-6-8-18(17)25-14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24)
InChIKeyDNAZWSKJIZSFFR-UHFFFAOYSA-N
XLogP5.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224527
N-[4-(methylcarbamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 112758656
N-(3,4-dimethylphenyl)-2-propan-2-ylsulfanylbenzamide
CID 9179609
2-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 2184947
N-(3-chloro-4-fluorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 9173217
N-[4-(dibutylsulfamoyl)phenyl]-2-propan-2-ylsulfanylbenzamide
CID 17224668
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
2-methylsulfanyl-N-[4-[4-[(2-methylsulfanylbenzoyl)amino]phenyl]phenyl]benzamide
CID 43980757
5-bromo-N-[4-(2-methylpropanoylamino)phenyl]naphthalene-1-carboxamide
CID 1298059
N-[4-(2-methylpropanoylamino)phenyl]-2-(tetrazol-1-yl)benzamide
CID 78773489
methyl (2S)-2-[2-[(4-methoxyphenyl)carbamoyl]phenyl]sulfanylpropanoate
CID 94033049

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide (CID 78773494) is N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide?
The InChIKey is DNAZWSKJIZSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-13(2)19(23)21-15-9-11-16(12-10-15)22-20(24)17-7-5-6-8-18(17)25-14(3)4/h5-14H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide?
N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide has a molecular weight of 356.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 78773494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).