N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

C19H30N2O3S2 — CID 38004690

IUPACN-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCC(C)(C)SCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O3S2/c1-19(2,3)25-14-11-20-18(22)17-9-7-16(8-10-17)15-26(23,24)21-12-5-4-6-13-21/h7-10H,4-6,11-15H2,1-3H3,(H,20,22)
InChIKeyLDVUJGJGFKSZIO-UHFFFAOYSA-N
MW398.59 g/mol
LogP3.26
Rot. Bonds7

About N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide

N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (PubChem CID 38004690) has the molecular formula C19H30N2O3S2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
PubChem CID38004690
Molecular FormulaC19H30N2O3S2
Molecular Weight398.59 g/mol
Exact Mass398.17
IUPAC NameN-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
SMILESCC(C)(C)SCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O3S2/c1-19(2,3)25-14-11-20-18(22)17-9-7-16(8-10-17)15-26(23,24)21-12-5-4-6-13-21/h7-10H,4-6,11-15H2,1-3H3,(H,20,22)
InChIKeyLDVUJGJGFKSZIO-UHFFFAOYSA-N
XLogP3.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyclohexylsulfanylethyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 92676402
N-[2-(4-methylphenyl)sulfanylethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92675752
4-(piperidin-1-ylsulfonylmethyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 28566921
N-[3-(azepan-1-yl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969584
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 99954898
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-[2-(4-methoxyphenyl)ethyl]-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99959532
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43910248
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92676922
4-(3-hydroxy-3-methylbutyl)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 56909604
N-cyclooctyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 99949383
N-cyclohexyl-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 53285985

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide (CID 38004690) is N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is CC(C)(C)SCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
The InChIKey is LDVUJGJGFKSZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S2/c1-19(2,3)25-14-11-20-18(22)17-9-7-16(8-10-17)15-26(23,24)21-12-5-4-6-13-21/h7-10H,4-6,11-15H2,1-3H3,(H,20,22).
What are the key properties of N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide?
N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide has a molecular weight of 398.59 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 38004690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).