N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide

C19H24N2O2S — CID 51332838

IUPACN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14(2)19(23)21-16-10-8-15(9-11-16)13-20-18(22)7-3-5-17-6-4-12-24-17/h4,6,8-12,14H,3,5,7,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGVBSIGJSXQSNCF-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.98
Rot. Bonds8

About N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide (PubChem CID 51332838) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
PubChem CID51332838
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14(2)19(23)21-16-10-8-15(9-11-16)13-20-18(22)7-3-5-17-6-4-12-24-17/h4,6,8-12,14H,3,5,7,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGVBSIGJSXQSNCF-UHFFFAOYSA-N
XLogP3.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 26907103
N-[[4-(bromomethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 107233721
N-[(4-methylphenyl)methyl]-5-thiophen-2-ylpentanamide
CID 4290554
5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pentanamide
CID 107907654
N-[(4-fluorophenyl)methyl]-5-thiophen-2-ylpentanamide
CID 110297704
N-[[4-(phenylmethoxymethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 46465242
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 9474553
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 27889825
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
3-methyl-2-[(4-thiophen-2-ylbutanoylamino)methyl]butanoic acid
CID 65220323

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide (CID 51332838) is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide is CC(C)C(=O)Nc1ccc(CNC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide?
The InChIKey is GVBSIGJSXQSNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(2)19(23)21-16-10-8-15(9-11-16)13-20-18(22)7-3-5-17-6-4-12-24-17/h4,6,8-12,14H,3,5,7,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide?
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide has a molecular weight of 344.48 g/mol, XLogP of 3.98, 8 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]methyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 51332838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).