N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide

C26H29ClN2O3S — CID 5002484

IUPACN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C26H29ClN2O3S/c1-2-32-15-8-14-28(26(31)22-11-6-12-23(27)17-22)20-25(30)29(19-24-13-7-16-33-24)18-21-9-4-3-5-10-21/h3-7,9-13,16-17H,2,8,14-15,18-20H2,1H3
InChIKeyLNAYZJLIDALMMN-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.50
Rot. Bonds12

About N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide (PubChem CID 5002484) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide
PubChem CID5002484
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC NameN-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C26H29ClN2O3S/c1-2-32-15-8-14-28(26(31)22-11-6-12-23(27)17-22)20-25(30)29(19-24-13-7-16-33-24)18-21-9-4-3-5-10-21/h3-7,9-13,16-17H,2,8,14-15,18-20H2,1H3
InChIKeyLNAYZJLIDALMMN-UHFFFAOYSA-N
XLogP5.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-4-ethylbenzamide
CID 4552625
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(oxolan-2-ylmethyl)benzamide
CID 4274481
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)-2-phenylacetamide
CID 5193233
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-[(2S)-butan-2-yl]-3-chlorobenzamide
CID 93114134
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-propan-2-ylbenzamide
CID 1059599
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)cyclohexanecarboxamide
CID 3874760
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 3459642
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-butyl-4-chloro-3-nitrobenzamide
CID 4689455
3,5-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(3-ethoxypropyl)benzamide
CID 3944832
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-tert-butyl-N-(3-methoxypropyl)benzamide
CID 4988651
N-benzyl-2-[3-ethoxypropyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3943687
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 5145017

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide?
The IUPAC name of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide (CID 5002484) is N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide is CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide?
The InChIKey is LNAYZJLIDALMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-2-32-15-8-14-28(26(31)22-11-6-12-23(27)17-22)20-25(30)29(19-24-13-7-16-33-24)18-21-9-4-3-5-10-21/h3-7,9-13,16-17H,2,8,14-15,18-20H2,1H3.
What are the key properties of N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide?
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide has a molecular weight of 485.05 g/mol, XLogP of 5.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-chloro-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 5002484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).