4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide

C30H28ClN3O3S — CID 143874486

IUPAC4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide
SMILESCc1ccc(C2(NC(=O)c3ccc(CN(Cc4ccccn4)S(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H28ClN3O3S/c1-22-5-11-25(12-6-22)30(17-18-30)33-29(35)24-9-7-23(8-10-24)20-34(21-27-4-2-3-19-32-27)38(36,37)28-15-13-26(31)14-16-28/h2-16,19H,17-18,20-21H2,1H3,(H,33,35)
InChIKeyWWYGCZIYEOCBNU-UHFFFAOYSA-N
MW546.09 g/mol
LogP5.85
Rot. Bonds9

About 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide

4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide (PubChem CID 143874486) has the molecular formula C30H28ClN3O3S and a molecular weight of 546.09 g/mol. Its IUPAC name is 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide
PubChem CID143874486
Molecular FormulaC30H28ClN3O3S
Molecular Weight546.09 g/mol
Exact Mass545.15
IUPAC Name4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide
SMILESCc1ccc(C2(NC(=O)c3ccc(CN(Cc4ccccn4)S(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)cc1
InChIInChI=1S/C30H28ClN3O3S/c1-22-5-11-25(12-6-22)30(17-18-30)33-29(35)24-9-7-23(8-10-24)20-34(21-27-4-2-3-19-32-27)38(36,37)28-15-13-26(31)14-16-28/h2-16,19H,17-18,20-21H2,1H3,(H,33,35)
InChIKeyWWYGCZIYEOCBNU-UHFFFAOYSA-N
XLogP5.85
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.09
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzamide
CID 58128904
4-[[4-[(1-phenylcyclopropyl)carbamoyl]phenyl]methyl-(pyridin-2-ylmethyl)sulfamoyl]benzoic acid
CID 58128855
4-[[(4-chlorophenyl)sulfonyl-(1,8-naphthyridin-2-ylmethyl)amino]methyl]-N-(1-phenylcyclopropyl)benzamide
CID 58128897
methyl 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoate
CID 58128955
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-cyclopropylsulfonylbenzamide
CID 58129059
2-[[4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]benzoyl]amino]-2-pyridin-4-ylacetic acid
CID 58129131
4-chloro-N-[[4-[2-oxo-2-(1-phenylcyclopropyl)ethyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 58129209
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-naphthalen-2-ylbenzamide
CID 58128885
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-quinolin-6-ylbenzamide
CID 58129149
4-chloro-N-[[4-[2-(3-methylsulfonylpropylsulfonyl)acetyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 58129016
N,4-dimethyl-N-[[4-[(pyridine-2-carbonylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 4790073
N-benzyl-4-chloro-N-[[4-[(propanoylamino)carbamoyl]phenyl]methyl]benzenesulfonamide
CID 26861330

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide?
The IUPAC name of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide (CID 143874486) is 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide.
What is the SMILES notation for 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide?
The canonical SMILES for 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide is Cc1ccc(C2(NC(=O)c3ccc(CN(Cc4ccccn4)S(=O)(=O)c4ccc(Cl)cc4)cc3)CC2)cc1.
What is the InChIKey of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide?
The InChIKey is WWYGCZIYEOCBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClN3O3S/c1-22-5-11-25(12-6-22)30(17-18-30)33-29(35)24-9-7-23(8-10-24)20-34(21-27-4-2-3-19-32-27)38(36,37)28-15-13-26(31)14-16-28/h2-16,19H,17-18,20-21H2,1H3,(H,33,35).
What are the key properties of 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide?
4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide has a molecular weight of 546.09 g/mol, XLogP of 5.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorophenyl)sulfonyl-(pyridin-2-ylmethyl)amino]methyl]-N-[1-(4-methylphenyl)cyclopropyl]benzamide is sourced from PubChem (CID 143874486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).