N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide

C20H24N2O2S — CID 33036805

IUPACN-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)12-19(23)21-17-8-10-18(11-9-17)22-20(24)16-6-4-15(5-7-16)13-25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZXCWZSBVHATYNW-UHFFFAOYSA-N
MW356.49 g/mol
LogP4.79
Rot. Bonds7

About N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide

N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 33036805) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID33036805
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1
InChIInChI=1S/C20H24N2O2S/c1-14(2)12-19(23)21-17-8-10-18(11-9-17)22-20(24)16-6-4-15(5-7-16)13-25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyZXCWZSBVHATYNW-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 119278741
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-[4-(3-methylbutanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 17194143
N-[4-(methylcarbamoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 46518330
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922
4-(methylsulfanylmethyl)-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986022
4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
N-(3,4-difluorophenyl)-4-(methylsulfanylmethyl)benzamide
CID 9165699
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-[4-(3-methylbutanoylamino)phenyl]naphthalene-2-carboxamide
CID 33026876
4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[4-(methylsulfanylmethyl)phenyl]benzamide
CID 86883709
N-(3-chloro-4-methylphenyl)-4-(methylsulfanylmethyl)benzamide
CID 2526021

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide (CID 33036805) is N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1.
What is the InChIKey of N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is ZXCWZSBVHATYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14(2)12-19(23)21-17-8-10-18(11-9-17)22-20(24)16-6-4-15(5-7-16)13-25-3/h4-11,14H,12-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide?
N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 356.49 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylbutanoylamino)phenyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 33036805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).