3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide

C16H17Cl2NO3S — CID 112811138

IUPAC3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
SMILESCCOc1cc(C(=O)N(CC)Cc2ccc(Cl)s2)cc(Cl)c1O
InChIInChI=1S/C16H17Cl2NO3S/c1-3-19(9-11-5-6-14(18)23-11)16(21)10-7-12(17)15(20)13(8-10)22-4-2/h5-8,20H,3-4,9H2,1-2H3
InChIKeyHCUGWSJHVFYAEQ-UHFFFAOYSA-N
MW374.29 g/mol
LogP4.82
Rot. Bonds6

About 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide

3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide (PubChem CID 112811138) has the molecular formula C16H17Cl2NO3S and a molecular weight of 374.29 g/mol. Its IUPAC name is 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
PubChem CID112811138
Molecular FormulaC16H17Cl2NO3S
Molecular Weight374.29 g/mol
Exact Mass373.03
IUPAC Name3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide
SMILESCCOc1cc(C(=O)N(CC)Cc2ccc(Cl)s2)cc(Cl)c1O
InChIInChI=1S/C16H17Cl2NO3S/c1-3-19(9-11-5-6-14(18)23-11)16(21)10-7-12(17)15(20)13(8-10)22-4-2/h5-8,20H,3-4,9H2,1-2H3
InChIKeyHCUGWSJHVFYAEQ-UHFFFAOYSA-N
XLogP4.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide 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

3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
2-[4-[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179644
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
3-chloro-5-ethoxy-N-ethyl-4-hydroxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 136935245
N-[(5-chlorothiophen-2-yl)methyl]-2-ethoxy-N-ethylacetamide
CID 60721620
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2,5-dimethoxybenzamide
CID 78788909
4-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 39911710
N-[(5-chlorothiophen-2-yl)methyl]-3,4,5-trimethoxy-N-prop-2-enylbenzamide
CID 55360432
2-(3-chloro-4-fluorophenoxy)-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylacetamide
CID 55397253
5-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 60646115
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,1-diethylpyrrole-2-carboxamide
CID 60955577

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide (CID 112811138) is 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide is CCOc1cc(C(=O)N(CC)Cc2ccc(Cl)s2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide?
The InChIKey is HCUGWSJHVFYAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3S/c1-3-19(9-11-5-6-14(18)23-11)16(21)10-7-12(17)15(20)13(8-10)22-4-2/h5-8,20H,3-4,9H2,1-2H3.
What are the key properties of 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide?
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide has a molecular weight of 374.29 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-ethoxy-N-ethyl-4-hydroxybenzamide is sourced from PubChem (CID 112811138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).