N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide

C19H27N3O3S — CID 52819195

IUPACN-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)20-12-18(23)21-16-4-2-3-5-17(16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,20,22H,6-12H2,1H3,(H,21,23)
InChIKeyUVRHSJGHQOCXSC-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.56
Rot. Bonds6

About N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide

N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide (PubChem CID 52819195) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
PubChem CID52819195
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide
SMILESCS(=O)(=O)NCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)20-12-18(23)21-16-4-2-3-5-17(16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,20,22H,6-12H2,1H3,(H,21,23)
InChIKeyUVRHSJGHQOCXSC-UHFFFAOYSA-N
XLogP2.56
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 51129921
tert-butyl N-[2-[2-(1-adamantylamino)anilino]-2-oxoethyl]carbamate
CID 60609789
2-[2-(1-adamantylamino)anilino]-N-carbamoylacetamide
CID 60613258
N-[2-(1-adamantylamino)phenyl]-2-aminopropanamide
CID 119865706
N-(2-ethylphenyl)-2-(methanesulfonamido)acetamide
CID 47013160
N-(2-methylphenyl)adamantan-1-amine
CID 68755177
2-(1-adamantylamino)-N-(2,3-dimethylphenyl)acetamide
CID 7536722
N-[2-(1-adamantylamino)phenyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60590759
ethyl 2-[[2-(methanesulfonamido)acetyl]amino]benzoate
CID 113001765
2-(1-adamantylamino)-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9032292
2-(cyclopropylamino)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 54924233
N-[2-(1-adamantylamino)phenyl]-2-(dimethylamino)pyridine-4-carboxamide
CID 60610002

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide?
The IUPAC name of N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide (CID 52819195) is N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide is CS(=O)(=O)NCC(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide?
The InChIKey is UVRHSJGHQOCXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-26(24,25)20-12-18(23)21-16-4-2-3-5-17(16)22-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,20,22H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide?
N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide has a molecular weight of 377.51 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantylamino)phenyl]-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 52819195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).