N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide

C22H32N2O4S — CID 108575099

IUPACN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O4S/c1-14-6-19(28-3)20(7-15(14)2)29(26,27)24-5-4-23-21(25)22-11-16-8-17(12-22)10-18(9-16)13-22/h6-7,16-18,24H,4-5,8-13H2,1-3H3,(H,23,25)
InChIKeyMWJHJZIXZCMPCO-UHFFFAOYSA-N
MW420.58 g/mol
LogP2.92
Rot. Bonds7

About N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide (PubChem CID 108575099) has the molecular formula C22H32N2O4S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide
PubChem CID108575099
Molecular FormulaC22H32N2O4S
Molecular Weight420.58 g/mol
Exact Mass420.21
IUPAC NameN-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H32N2O4S/c1-14-6-19(28-3)20(7-15(14)2)29(26,27)24-5-4-23-21(25)22-11-16-8-17(12-22)10-18(9-16)13-22/h6-7,16-18,24H,4-5,8-13H2,1-3H3,(H,23,25)
InChIKeyMWJHJZIXZCMPCO-UHFFFAOYSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 108573631
4-tert-butyl-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108573220
3-(3,4-dimethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108574284
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-2-sulfanylbenzamide
CID 108573477
N-[3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 9483406
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572092
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003
2-methoxy-4,5-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43845640
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
CID 31340572

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide (CID 108575099) is N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide is COc1cc(C)c(C)cc1S(=O)(=O)NCCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide?
The InChIKey is MWJHJZIXZCMPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4S/c1-14-6-19(28-3)20(7-15(14)2)29(26,27)24-5-4-23-21(25)22-11-16-8-17(12-22)10-18(9-16)13-22/h6-7,16-18,24H,4-5,8-13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide?
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 108575099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).