2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

C22H30N2O2S — CID 35181744

IUPAC2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1
InChIInChI=1S/C22H30N2O2S/c1-2-3-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyRLDFIEPTRBBJHA-IBGZPJMESA-N
MW386.56 g/mol
LogP4.88
Rot. Bonds9

About 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide

2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (PubChem CID 35181744) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
PubChem CID35181744
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1
InChIInChI=1S/C22H30N2O2S/c1-2-3-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyRLDFIEPTRBBJHA-IBGZPJMESA-N
XLogP4.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-propoxybenzamide
CID 35042114
N-[(2S)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 35133379
2-methoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 34950107
4-butoxy-N-[(2R)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide
CID 35340992
2-butoxy-N-[(2R)-2-(4-tert-butylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 35579281
2-butoxy-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35129295
2-(difluoromethoxy)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 43019875
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-2-chlorobenzamide
CID 17012442
N-[(2R)-2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3-butoxybenzamide
CID 35042150
N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-2-propoxybenzamide
CID 35577875
2-amino-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide;dihydrochloride
CID 119946170
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide (CID 35181744) is 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCC1.
What is the InChIKey of 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
The InChIKey is RLDFIEPTRBBJHA-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-2-3-15-26-20-11-6-5-10-18(20)22(25)23-17-19(21-12-9-16-27-21)24-13-7-4-8-14-24/h5-6,9-12,16,19H,2-4,7-8,13-15,17H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide?
2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide has a molecular weight of 386.56 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2S)-2-piperidin-1-yl-2-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 35181744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).