N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide

C12H19N3O3S — CID 61274883

IUPACN-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)13-8-12(16)14-10-5-4-6-11(7-10)15-19(3,17)18/h4-7,9,13,15H,8H2,1-3H3,(H,14,16)
InChIKeyMSZIXHYLVHBYJZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.99
Rot. Bonds6

About N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide

N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide (PubChem CID 61274883) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
PubChem CID61274883
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C12H19N3O3S/c1-9(2)13-8-12(16)14-10-5-4-6-11(7-10)15-19(3,17)18/h4-7,9,13,15H,8H2,1-3H3,(H,14,16)
InChIKeyMSZIXHYLVHBYJZ-UHFFFAOYSA-N
XLogP0.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
2-(cyclopropylamino)-N-[3-(methanesulfonamido)phenyl]acetamide
CID 61274882
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60718564
N-(3-acetamidophenyl)-2-(3,3-dimethylbutan-2-ylamino)acetamide
CID 71986887
3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
CID 61276046
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
N-[3-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 62999117
2-[1-[3-(methanesulfonamido)phenyl]ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 75455956

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide (CID 61274883) is N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is MSZIXHYLVHBYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)13-8-12(16)14-10-5-4-6-11(7-10)15-19(3,17)18/h4-7,9,13,15H,8H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide?
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 61274883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).