2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide

C25H23ClN4OS — CID 175630397

IUPAC2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2ncc(S)[nH]2)cc1)C(NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H23ClN4OS/c26-20-10-6-17(7-11-20)14-15-27-23(18-4-2-1-3-5-18)25(31)29-21-12-8-19(9-13-21)24-28-16-22(32)30-24/h1-13,16,23,27,32H,14-15H2,(H,28,30)(H,29,31)
InChIKeyRBYFSLRLPRCWPP-UHFFFAOYSA-N
MW463.01 g/mol
LogP5.53
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide

2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide (PubChem CID 175630397) has the molecular formula C25H23ClN4OS and a molecular weight of 463.01 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide
PubChem CID175630397
Molecular FormulaC25H23ClN4OS
Molecular Weight463.01 g/mol
Exact Mass462.13
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide
SMILESO=C(Nc1ccc(-c2ncc(S)[nH]2)cc1)C(NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C25H23ClN4OS/c26-20-10-6-17(7-11-20)14-15-27-23(18-4-2-1-3-5-18)25(31)29-21-12-8-19(9-13-21)24-28-16-22(32)30-24/h1-13,16,23,27,32H,14-15H2,(H,28,30)(H,29,31)
InChIKeyRBYFSLRLPRCWPP-UHFFFAOYSA-N
XLogP5.53
TPSA69.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.01
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 158662618
2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
CID 175628645
2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175630363
(2S)-N-(4-chlorophenyl)-2-phenyl-2-(2H-tetrazol-5-ylamino)acetamide
CID 1131291
(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide
CID 175623083
(2S)-2-[2-(4-cyanophenyl)ethylamino]-N-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-phenylacetamide
CID 139426243
2-[2-(4-chlorophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426187
(2S)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[4-(4-methylimidazol-1-yl)phenyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;bis((2S)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide);bis((2R)-2-[2-(4-methylphenyl)ethylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenylacetamide)
CID 167540048
2-[2-(4-chlorophenyl)-6-oxo-1H-pyrimidin-5-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92648982
1-(4-chlorophenyl)-3-[2-(4-phenylphenyl)ethyl]urea
CID 155436724
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-N,2-diphenylacetamide
CID 51957933
2-[[(2S)-2-(4-chlorophenyl)propyl]amino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175631857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide (CID 175630397) is 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide is O=C(Nc1ccc(-c2ncc(S)[nH]2)cc1)C(NCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide?
The InChIKey is RBYFSLRLPRCWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4OS/c26-20-10-6-17(7-11-20)14-15-27-23(18-4-2-1-3-5-18)25(31)29-21-12-8-19(9-13-21)24-28-16-22(32)30-24/h1-13,16,23,27,32H,14-15H2,(H,28,30)(H,29,31).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide?
2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide has a molecular weight of 463.01 g/mol, XLogP of 5.53, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 175630397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).