2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide

C19H23N3O2S — CID 37315858

IUPAC2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1SCC(N)=O)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-22(15-8-3-2-4-9-15)13-7-12-21-19(24)16-10-5-6-11-17(16)25-14-18(20)23/h2-6,8-11H,7,12-14H2,1H3,(H2,20,23)(H,21,24)
InChIKeyHQVMEABRDGWRLX-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.52
Rot. Bonds9

About 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide

2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 37315858) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID37315858
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccccc1SCC(N)=O)c1ccccc1
InChIInChI=1S/C19H23N3O2S/c1-22(15-8-3-2-4-9-15)13-7-12-21-19(24)16-10-5-6-11-17(16)25-14-18(20)23/h2-6,8-11H,7,12-14H2,1H3,(H2,20,23)(H,21,24)
InChIKeyHQVMEABRDGWRLX-UHFFFAOYSA-N
XLogP2.52
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.52
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-[4-(N-methylanilino)butyl]benzamide
CID 60565666
N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
2-(2-chlorophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 26554097
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
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
2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(2-phenylethyl)benzamide
CID 51200205
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
5-amino-2-methyl-N-[4-(N-methylanilino)butyl]benzamide
CID 120645211
4-chloro-N-[3-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 81230949

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide (CID 37315858) is 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccccc1SCC(N)=O)c1ccccc1.
What is the InChIKey of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is HQVMEABRDGWRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-22(15-8-3-2-4-9-15)13-7-12-21-19(24)16-10-5-6-11-17(16)25-14-18(20)23/h2-6,8-11H,7,12-14H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of 2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide?
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 357.48 g/mol, XLogP of 2.52, 9 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-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 37315858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).