N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide

C24H28N2O3S — CID 41448880

IUPACN-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C24H28N2O3S/c1-30(28,29)26-22-4-2-3-19(12-22)23(27)25-21-7-5-20(6-8-21)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,26H,9-11,13-15H2,1H3,(H,25,27)
InChIKeyYDKITFQHOGDNEV-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.78
Rot. Bonds5

About N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide

N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide (PubChem CID 41448880) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
PubChem CID41448880
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
InChIInChI=1S/C24H28N2O3S/c1-30(28,29)26-22-4-2-3-19(12-22)23(27)25-21-7-5-20(6-8-21)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,26H,9-11,13-15H2,1H3,(H,25,27)
InChIKeyYDKITFQHOGDNEV-UHFFFAOYSA-N
XLogP4.78
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]benzoic acid
CID 155133864
N-[4-(1-adamantyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703536
N-[3-[[[2-(1-adamantyl)acetyl]amino]carbamoyl]phenyl]methanesulfonamide
CID 18107728
methyl 2-[3-[[4-(1-adamantyl)phenyl]carbamoyl]anilino]pyridine-3-carboxylate
CID 155134560
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-[4-(1-adamantyl)phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 38016726
N-[4-[(5R,7R)-3-phenyl-1-adamantyl]phenyl]benzamide
CID 98144092
N-ethyl-3-[[3-(methanesulfonamido)benzoyl]amino]benzamide
CID 18151214
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
N-[4-(1-adamantyl)phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 126031363
N-(3,5-dimethoxyphenyl)-3-(methanesulfonamido)benzamide
CID 18106096
N-[3-[(4-fluorophenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787575

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide?
The IUPAC name of N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide (CID 41448880) is N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide?
The canonical SMILES for N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1.
What is the InChIKey of N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide?
The InChIKey is YDKITFQHOGDNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-30(28,29)26-22-4-2-3-19(12-22)23(27)25-21-7-5-20(6-8-21)24-13-16-9-17(14-24)11-18(10-16)15-24/h2-8,12,16-18,26H,9-11,13-15H2,1H3,(H,25,27).
What are the key properties of N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide?
N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide has a molecular weight of 424.57 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)phenyl]-3-(methanesulfonamido)benzamide is sourced from PubChem (CID 41448880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).