3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide

C20H20ClN3O2S — CID 47789737

IUPAC3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C20H20ClN3O2S/c21-16-5-7-17(8-6-16)27-14-9-20(25)23-18-3-1-2-4-19(18)26-13-12-24-11-10-22-15-24/h1-8,10-11,15H,9,12-14H2,(H,23,25)
InChIKeyUMMYGOGLEOMPIN-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.74
Rot. Bonds9

About 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide (PubChem CID 47789737) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
PubChem CID47789737
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccc(Cl)cc1)Nc1ccccc1OCCn1ccnc1
InChIInChI=1S/C20H20ClN3O2S/c21-16-5-7-17(8-6-16)27-14-9-20(25)23-18-3-1-2-4-19(18)26-13-12-24-11-10-22-15-24/h1-8,10-11,15H,9,12-14H2,(H,23,25)
InChIKeyUMMYGOGLEOMPIN-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 60586152
N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide
CID 56540324
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751
3-amino-N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-methylbutanamide;dihydrochloride
CID 120503297
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789670
6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166260625
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
CID 119862178

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide (CID 47789737) is 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide is O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1OCCn1ccnc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
The InChIKey is UMMYGOGLEOMPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c21-16-5-7-17(8-6-16)27-14-9-20(25)23-18-3-1-2-4-19(18)26-13-12-24-11-10-22-15-24/h1-8,10-11,15H,9,12-14H2,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide has a molecular weight of 401.92 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]propanamide is sourced from PubChem (CID 47789737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).