N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

C26H26N2O3S — CID 23595980

IUPACN-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C26H26N2O3S/c1-26(25(29)27-17-12-14-18(15-13-17)32(30,31)28(2)3)16-23-19-8-4-6-10-21(19)24(26)22-11-7-5-9-20(22)23/h4-15,23-24H,16H2,1-3H3,(H,27,29)
InChIKeyNIUPLQOMNVJFGN-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.56
Rot. Bonds4

About N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (PubChem CID 23595980) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
PubChem CID23595980
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)cc1
InChIInChI=1S/C26H26N2O3S/c1-26(25(29)27-17-12-14-18(15-13-17)32(30,31)28(2)3)16-23-19-8-4-6-10-21(19)24(26)22-11-7-5-9-20(22)23/h4-15,23-24H,16H2,1-3H3,(H,27,29)
InChIKeyNIUPLQOMNVJFGN-UHFFFAOYSA-N
XLogP4.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide with MolForge

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Related Compounds

(15R)-N-(4-chlorophenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1101014
(15R)-N-(3,4-dimethylphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 7033328
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596325
15-methyl-N-(6-methyl-2-pyridinyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596312
1-amino-N-[4-(dimethylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 60866670
(15S)-15-methyl-N-(2-methyl-5-nitrophenyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1041608
N-(5-cyano-4,6-dimethyl-2-pyridinyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596316
15-methyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596040
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[4-(dimethylsulfamoyl)phenyl]-2-phenylazetidine-1-carboxamide
CID 51116324
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23595994
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 46975971

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide (CID 23595980) is N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
The InChIKey is NIUPLQOMNVJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-26(25(29)27-17-12-14-18(15-13-17)32(30,31)28(2)3)16-23-19-8-4-6-10-21(19)24(26)22-11-7-5-9-20(22)23/h4-15,23-24H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide?
N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide has a molecular weight of 446.57 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide is sourced from PubChem (CID 23595980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).