N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

C20H18ClNO2S2 — CID 34732993

IUPACN-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C20H18ClNO2S2/c21-15-7-9-16(10-8-15)24-12-11-22-20(23)18-5-1-2-6-19(18)26-14-17-4-3-13-25-17/h1-10,13H,11-12,14H2,(H,22,23)
InChIKeyIXKBOSNPYSMUJU-UHFFFAOYSA-N
MW403.96 g/mol
LogP5.50
Rot. Bonds8

About N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide

N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (PubChem CID 34732993) has the molecular formula C20H18ClNO2S2 and a molecular weight of 403.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
PubChem CID34732993
Molecular FormulaC20H18ClNO2S2
Molecular Weight403.96 g/mol
Exact Mass403.05
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
SMILESO=C(NCCOc1ccc(Cl)cc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C20H18ClNO2S2/c21-15-7-9-16(10-8-15)24-12-11-22-20(23)18-5-1-2-6-19(18)26-14-17-4-3-13-25-17/h1-10,13H,11-12,14H2,(H,22,23)
InChIKeyIXKBOSNPYSMUJU-UHFFFAOYSA-N
XLogP5.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.96
LogP ≤ 55.50
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-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18227464
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
2-ethylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 32935041
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430
2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
2-methylsulfanyl-N-(2-phenoxyethyl)benzamide
CID 26903219
methyl N-[4-[[2-(thiophen-2-ylmethylsulfanyl)benzoyl]amino]phenyl]carbamate
CID 55804766

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide (CID 34732993) is N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is O=C(NCCOc1ccc(Cl)cc1)c1ccccc1SCc1cccs1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
The InChIKey is IXKBOSNPYSMUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2S2/c21-15-7-9-16(10-8-15)24-12-11-22-20(23)18-5-1-2-6-19(18)26-14-17-4-3-13-25-17/h1-10,13H,11-12,14H2,(H,22,23).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide?
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide has a molecular weight of 403.96 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 34732993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).