2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

C27H25N3O3S — CID 46423833

IUPAC2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESCN(CC(=O)NCC1CC2c3ccccc3C1c1ccccc12)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C27H25N3O3S/c1-30(34(32,33)20-12-10-18(15-28)11-13-20)17-26(31)29-16-19-14-25-21-6-2-4-8-23(21)27(19)24-9-5-3-7-22(24)25/h2-13,19,25,27H,14,16-17H2,1H3,(H,29,31)
InChIKeyGDUWGORWOACDME-UHFFFAOYSA-N
MW471.58 g/mol
LogP3.59
Rot. Bonds6

About 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (PubChem CID 46423833) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
PubChem CID46423833
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC Name2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
SMILESCN(CC(=O)NCC1CC2c3ccccc3C1c1ccccc12)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C27H25N3O3S/c1-30(34(32,33)20-12-10-18(15-28)11-13-20)17-26(31)29-16-19-14-25-21-6-2-4-8-23(21)27(19)24-9-5-3-7-22(24)25/h2-13,19,25,27H,14,16-17H2,1H3,(H,29,31)
InChIKeyGDUWGORWOACDME-UHFFFAOYSA-N
XLogP3.59
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[methoxy(methyl)sulfamoyl]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 75857687
N-(2-adamantyl)-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 24664354
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-4-cyano-N-methylbenzenesulfonamide
CID 32925814
4-methylsulfonyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzamide
CID 25496478
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31807936
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(3,5-dichlorophenyl)acetamide
CID 31763987
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide
CID 55548430
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24664234
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30394821
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 26941957
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 46541498
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[[3-(difluoromethoxy)phenyl]methyl]acetamide
CID 49336755

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The IUPAC name of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide (CID 46423833) is 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The canonical SMILES for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is CN(CC(=O)NCC1CC2c3ccccc3C1c1ccccc12)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
The InChIKey is GDUWGORWOACDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-30(34(32,33)20-12-10-18(15-28)11-13-20)17-26(31)29-16-19-14-25-21-6-2-4-8-23(21)27(19)24-9-5-3-7-22(24)25/h2-13,19,25,27H,14,16-17H2,1H3,(H,29,31).
What are the key properties of 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide?
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide has a molecular weight of 471.58 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)sulfonyl-methylamino]-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide is sourced from PubChem (CID 46423833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).