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

C15H25N3O3S — CID 119526633

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-10(2)12-5-7-13(8-6-12)14(16)9-17-15(19)11(3)18-22(4,20)21/h5-8,10-11,14,18H,9,16H2,1-4H3,(H,17,19)
InChIKeyDYYHUWUAXPIQSS-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.86
Rot. Bonds7

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

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide (PubChem CID 119526633) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
PubChem CID119526633
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)NCC(N)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H25N3O3S/c1-10(2)12-5-7-13(8-6-12)14(16)9-17-15(19)11(3)18-22(4,20)21/h5-8,10-11,14,18H,9,16H2,1-4H3,(H,17,19)
InChIKeyDYYHUWUAXPIQSS-UHFFFAOYSA-N
XLogP0.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]methanesulfonamide
CID 75431092
N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 119526649
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-ethoxy-2-phenylacetamide;hydrochloride
CID 119525446
2-acetamido-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 119526121
1-(4-propan-2-ylphenyl)-N'-(propan-2-ylsulfamoyl)ethane-1,2-diamine
CID 120874949
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methylsulfonylbenzamide;hydrochloride
CID 119526864
4-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 119526891
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-pentylsulfonylacetamide
CID 119525765
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 119260530
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]cyclopentanecarboxamide
CID 119525287
N-[1-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 119525599
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119525720

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide (CID 119526633) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)NCC(N)c1ccc(C(C)C)cc1.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide?
The InChIKey is DYYHUWUAXPIQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-10(2)12-5-7-13(8-6-12)14(16)9-17-15(19)11(3)18-22(4,20)21/h5-8,10-11,14,18H,9,16H2,1-4H3,(H,17,19).
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(methanesulfonamido)propanamide has a molecular weight of 327.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 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-(methanesulfonamido)propanamide is sourced from PubChem (CID 119526633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).