2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide

C33H31N3OS — CID 3378636

IUPAC2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
SMILESCCC(C(=O)NCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31N3OS/c1-2-29(25-15-7-3-8-16-25)32(37)34-23-24-38-33-35-30(26-17-9-4-10-18-26)31(27-19-11-5-12-20-27)36(33)28-21-13-6-14-22-28/h3-22,29H,2,23-24H2,1H3,(H,34,37)
InChIKeyNPKVYYCYMRDPFX-UHFFFAOYSA-N
MW517.70 g/mol
LogP7.61
Rot. Bonds10

About 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide

2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide (PubChem CID 3378636) has the molecular formula C33H31N3OS and a molecular weight of 517.70 g/mol. Its IUPAC name is 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
PubChem CID3378636
Molecular FormulaC33H31N3OS
Molecular Weight517.70 g/mol
Exact Mass517.22
IUPAC Name2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide
SMILESCCC(C(=O)NCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C33H31N3OS/c1-2-29(25-15-7-3-8-16-25)32(37)34-23-24-38-33-35-30(26-17-9-4-10-18-26)31(27-19-11-5-12-20-27)36(33)28-21-13-6-14-22-28/h3-22,29H,2,23-24H2,1H3,(H,34,37)
InChIKeyNPKVYYCYMRDPFX-UHFFFAOYSA-N
XLogP7.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.70
LogP ≤ 57.61
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-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-2-phenylbutanamide
CID 3693436
4-tert-butyl-N-[3-(1,4,5-triphenylimidazol-2-yl)sulfanylpropyl]benzamide
CID 42657918
diethyl 2-(1,4,5-triphenylimidazol-2-yl)sulfanylpropanedioate
CID 134066845
2-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]sulfanylacetic acid
CID 3472388
N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 3801507
N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-2-phenylsulfanylacetamide
CID 4255231
N-(1,3,5-trimethylpyrazol-4-yl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 55392612
N-[2-(2,4-dichlorophenyl)ethyl]-5-(1,4,5-triphenylimidazol-2-yl)sulfanylpentanamide
CID 3569556
2-[2-(4-methylphenoxy)ethylsulfanyl]-1,4,5-triphenylimidazole
CID 5228080
1-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4236781
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-2-ethylhexanamide
CID 3880800
3-chloro-N-[2-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylethyl]-2,2-dimethylpropanamide
CID 3556679

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide?
The IUPAC name of 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide (CID 3378636) is 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide?
The canonical SMILES for 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide is CCC(C(=O)NCCSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide?
The InChIKey is NPKVYYCYMRDPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3OS/c1-2-29(25-15-7-3-8-16-25)32(37)34-23-24-38-33-35-30(26-17-9-4-10-18-26)31(27-19-11-5-12-20-27)36(33)28-21-13-6-14-22-28/h3-22,29H,2,23-24H2,1H3,(H,34,37).
What are the key properties of 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide?
2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide has a molecular weight of 517.70 g/mol, XLogP of 7.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(1,4,5-triphenylimidazol-2-yl)sulfanylethyl]butanamide is sourced from PubChem (CID 3378636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).