N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide

C18H30N2O3S — CID 119525765

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O3S/c1-4-5-6-11-24(22,23)13-18(21)20-12-17(19)16-9-7-15(8-10-16)14(2)3/h7-10,14,17H,4-6,11-13,19H2,1-3H3,(H,20,21)
InChIKeyKNKWDVVIVCCPBN-UHFFFAOYSA-N
MW354.52 g/mol
LogP2.53
Rot. Bonds10

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide (PubChem CID 119525765) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
PubChem CID119525765
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
SMILESCCCCCS(=O)(=O)CC(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H30N2O3S/c1-4-5-6-11-24(22,23)13-18(21)20-12-17(19)16-9-7-15(8-10-16)14(2)3/h7-10,14,17H,4-6,11-13,19H2,1-3H3,(H,20,21)
InChIKeyKNKWDVVIVCCPBN-UHFFFAOYSA-N
XLogP2.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.53
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-amino-2-phenylethyl)-2-propylsulfonylacetamide;hydrochloride
CID 119527676
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-butoxyacetamide
CID 119525929
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-propoxyacetamide
CID 119526031
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
7-amino-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]heptanamide
CID 122080402
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119525720
N-(2-amino-2-phenylethyl)hexanamide
CID 55225513
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-(4-propan-2-ylphenoxy)ethyl]-2-propylsulfonylacetamide
CID 60571529
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]hex-5-enamide;dihydrochloride
CID 119527050
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
CID 119526633

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide (CID 119525765) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide is CCCCCS(=O)(=O)CC(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide?
The InChIKey is KNKWDVVIVCCPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-4-5-6-11-24(22,23)13-18(21)20-12-17(19)16-9-7-15(8-10-16)14(2)3/h7-10,14,17H,4-6,11-13,19H2,1-3H3,(H,20,21).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide has a molecular weight of 354.52 g/mol, XLogP of 2.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide is sourced from PubChem (CID 119525765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).