2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide

C20H25N3O2S — CID 60565666

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide
SMILESCN(CCCCNC(=O)c1ccccc1SCC(N)=O)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-23(16-9-3-2-4-10-16)14-8-7-13-22-20(25)17-11-5-6-12-18(17)26-15-19(21)24/h2-6,9-12H,7-8,13-15H2,1H3,(H2,21,24)(H,22,25)
InChIKeyPUNTUVOSHYSQBL-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.91
Rot. Bonds10

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide (PubChem CID 60565666) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide
PubChem CID60565666
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide
SMILESCN(CCCCNC(=O)c1ccccc1SCC(N)=O)c1ccccc1
InChIInChI=1S/C20H25N3O2S/c1-23(16-9-3-2-4-10-16)14-8-7-13-22-20(25)17-11-5-6-12-18(17)26-15-19(21)24/h2-6,9-12H,7-8,13-15H2,1H3,(H2,21,24)(H,22,25)
InChIKeyPUNTUVOSHYSQBL-UHFFFAOYSA-N
XLogP2.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
CID 37315858
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
3-(2-fluorophenyl)sulfanyl-N-[4-(N-methylanilino)butyl]propanamide
CID 60566492
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
2-amino-N-[3-(N-methylanilino)propyl]butanediamide
CID 60848085
2,5-dichloro-N-[3-(N-methylanilino)propyl]thiophene-3-carboxamide
CID 27746858
2-fluoro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 107358352
N-(2-amino-2-ethylbutyl)-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119639773
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
N-[3-(N-methylanilino)propyl]-2-(propan-2-ylcarbamoylamino)benzamide
CID 46551983

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide (CID 60565666) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide is CN(CCCCNC(=O)c1ccccc1SCC(N)=O)c1ccccc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide?
The InChIKey is PUNTUVOSHYSQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-23(16-9-3-2-4-10-16)14-8-7-13-22-20(25)17-11-5-6-12-18(17)26-15-19(21)24/h2-6,9-12H,7-8,13-15H2,1H3,(H2,21,24)(H,22,25).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide has a molecular weight of 371.51 g/mol, XLogP of 2.91, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)sulfanyl-N-[4-(N-methylanilino)butyl]benzamide is sourced from PubChem (CID 60565666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).