N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide

C13H20N2O4S — CID 43573520

IUPACN-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(2)15(8-9-16)13(17)11-4-6-12(7-5-11)14-20(3,18)19/h4-7,10,14,16H,8-9H2,1-3H3
InChIKeyWVCUTYUAVWKYNG-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.90
Rot. Bonds6

About N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide

N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide (PubChem CID 43573520) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
PubChem CID43573520
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(2)15(8-9-16)13(17)11-4-6-12(7-5-11)14-20(3,18)19/h4-7,10,14,16H,8-9H2,1-3H3
InChIKeyWVCUTYUAVWKYNG-UHFFFAOYSA-N
XLogP0.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide
CID 61038554
N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbenzamide
CID 43573527
N-(2-hydroxyethyl)-4-nitro-N-propan-2-ylbenzamide
CID 43573013
N-(3-hydroxypropyl)-4-iodo-N-propan-2-ylbenzamide
CID 61040122
N-[4-[(2S)-2-(diethylamino)propanoyl]phenyl]methanesulfonamide;hydrochloride
CID 22792478
3-[ethyl-[4-(methanesulfonamido)benzoyl]amino]propanoic acid
CID 61008573
4-amino-N-(2-hydroxyethyl)-3-iodo-N-propan-2-ylbenzamide
CID 112750807
N-butyl-N-ethyl-4-(methanesulfonamido)benzamide
CID 35825214
N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 43573749
N-(2-hydroxyethyl)-4-[(5-nitropyrimidin-2-yl)amino]-N-propan-2-ylbenzamide
CID 58748714
N-(2-hydroxyethyl)-4-(methylamino)-N-pentan-3-ylbenzamide
CID 62175742
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide (CID 43573520) is N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
The InChIKey is WVCUTYUAVWKYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(2)15(8-9-16)13(17)11-4-6-12(7-5-11)14-20(3,18)19/h4-7,10,14,16H,8-9H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide?
N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide has a molecular weight of 300.38 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-(methanesulfonamido)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43573520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).