N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide

C12H18N2O4S — CID 69027869

IUPACN-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide
SMILESCC(CO)NCC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-15)13-7-12(16)10-3-5-11(6-4-10)14-19(2,17)18/h3-6,9,13-15H,7-8H2,1-2H3
InChIKeyLZLIGBNJLRHAMX-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.21
Rot. Bonds7

About N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide

N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide (PubChem CID 69027869) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide
PubChem CID69027869
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide
SMILESCC(CO)NCC(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C12H18N2O4S/c1-9(8-15)13-7-12(16)10-3-5-11(6-4-10)14-19(2,17)18/h3-6,9,13-15H,7-8H2,1-2H3
InChIKeyLZLIGBNJLRHAMX-UHFFFAOYSA-N
XLogP0.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(propan-2-ylamino)acetyl]phenyl]methanesulfonamide;hydrochloride
CID 45357491
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 43573520
N-(1-hydroxy-2-methylpropan-2-yl)-4-(methanesulfonamido)benzamide
CID 43392916
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
2-(butan-2-ylamino)-1-(4-tert-butylphenyl)ethanone
CID 82101728
N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone
CID 69027932
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
1-(4-acetylphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875225
N-[4-(2-methylhexanoyl)phenyl]methanesulfonamide
CID 114246123
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide (CID 69027869) is N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide is CC(CO)NCC(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide?
The InChIKey is LZLIGBNJLRHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9(8-15)13-7-12(16)10-3-5-11(6-4-10)14-19(2,17)18/h3-6,9,13-15H,7-8H2,1-2H3.
What are the key properties of N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide?
N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-hydroxypropan-2-ylamino)acetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69027869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).