N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide

C15H24N2O3S — CID 94062624

IUPACN-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)CC(C)(C)C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11(16-14(18)10-15(2,3)4)12-8-6-7-9-13(12)17-21(5,19)20/h6-9,11,17H,10H2,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyUUFQUOLFNNCYAI-NSHDSACASA-N
MW312.44 g/mol
LogP2.67
Rot. Bonds5

About N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide

N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide (PubChem CID 94062624) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
PubChem CID94062624
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
SMILESC[C@H](NC(=O)CC(C)(C)C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-11(16-14(18)10-15(2,3)4)12-8-6-7-9-13(12)17-21(5,19)20/h6-9,11,17H,10H2,1-5H3,(H,16,18)/t11-/m0/s1
InChIKeyUUFQUOLFNNCYAI-NSHDSACASA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55934103
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
CID 55934358
N-[2-[1-[2-(methanesulfonamido)phenyl]ethylamino]-2-oxoethyl]-4-methoxybenzamide
CID 55932572
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
CID 56553112
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide;hydrochloride
CID 119732344
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55699860
3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 60544467
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide (CID 94062624) is N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide is C[C@H](NC(=O)CC(C)(C)C)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is UUFQUOLFNNCYAI-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(16-14(18)10-15(2,3)4)12-8-6-7-9-13(12)17-21(5,19)20/h6-9,11,17H,10H2,1-5H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide?
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 312.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 94062624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).