N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide

C30H29N3O2S2 — CID 42725796

IUPACN-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide
SMILESCCn1c(SCCCNS(=O)(=O)c2ccc3ccccc3c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H29N3O2S2/c1-2-33-29(25-15-7-4-8-16-25)28(24-13-5-3-6-14-24)32-30(33)36-21-11-20-31-37(34,35)27-19-18-23-12-9-10-17-26(23)22-27/h3-10,12-19,22,31H,2,11,20-21H2,1H3
InChIKeyXTMFPJYMIMWVHD-UHFFFAOYSA-N
MW527.72 g/mol
LogP6.85
Rot. Bonds10

About N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide

N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide (PubChem CID 42725796) has the molecular formula C30H29N3O2S2 and a molecular weight of 527.72 g/mol. Its IUPAC name is N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide
PubChem CID42725796
Molecular FormulaC30H29N3O2S2
Molecular Weight527.72 g/mol
Exact Mass527.17
IUPAC NameN-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide
SMILESCCn1c(SCCCNS(=O)(=O)c2ccc3ccccc3c2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C30H29N3O2S2/c1-2-33-29(25-15-7-4-8-16-25)28(24-13-5-3-6-14-24)32-30(33)36-21-11-20-31-37(34,35)27-19-18-23-12-9-10-17-26(23)22-27/h3-10,12-19,22,31H,2,11,20-21H2,1H3
InChIKeyXTMFPJYMIMWVHD-UHFFFAOYSA-N
XLogP6.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.72
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methoxybenzenesulfonamide
CID 4566754
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-nitrobenzenesulfonamide
CID 4566482
N-[3-(ethylsulfonylamino)propyl]naphthalene-2-sulfonamide
CID 49459732
1-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 5137200
N-nonylnaphthalene-2-sulfonamide
CID 19681387
4-ethyl-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]benzamide
CID 42725819
N-[2-(naphthalen-2-ylsulfonylamino)ethyl]naphthalene-2-sulfonamide
CID 30170513
N-[3-(methylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 119964824
N-[3-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylpropyl]-3-methylbutanamide
CID 4238393
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide (CID 42725796) is N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide is CCn1c(SCCCNS(=O)(=O)c2ccc3ccccc3c2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide?
The InChIKey is XTMFPJYMIMWVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2S2/c1-2-33-29(25-15-7-4-8-16-25)28(24-13-5-3-6-14-24)32-30(33)36-21-11-20-31-37(34,35)27-19-18-23-12-9-10-17-26(23)22-27/h3-10,12-19,22,31H,2,11,20-21H2,1H3.
What are the key properties of N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide?
N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide has a molecular weight of 527.72 g/mol, XLogP of 6.85, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42725796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).