N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide

C19H23ClN2O4S — CID 70305466

IUPACN-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide
SMILESCC(CN(C)C(=O)Cc1ccc(NS(C)(=O)=O)cc1)Oc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-14(26-18-7-5-4-6-17(18)20)13-22(2)19(23)12-15-8-10-16(11-9-15)21-27(3,24)25/h4-11,14,21H,12-13H2,1-3H3
InChIKeyVKYDSBQTAGAZFT-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.18
Rot. Bonds8

About N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide

N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide (PubChem CID 70305466) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide
PubChem CID70305466
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide
SMILESCC(CN(C)C(=O)Cc1ccc(NS(C)(=O)=O)cc1)Oc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O4S/c1-14(26-18-7-5-4-6-17(18)20)13-22(2)19(23)12-15-8-10-16(11-9-15)21-27(3,24)25/h4-11,14,21H,12-13H2,1-3H3
InChIKeyVKYDSBQTAGAZFT-UHFFFAOYSA-N
XLogP3.18
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 27666170
(2S)-2-(2-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylpropanamide
CID 92676441
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
2-(2-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53282907
N-[4-[2-(2,5-dichlorophenoxy)propanoyl]phenyl]methanesulfonamide
CID 18171169
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 43339023
N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
N-[2-(2-chlorophenoxy)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200106
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
CID 43339036
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-5-(methanesulfonamido)-N-methylbenzamide
CID 43910210
4-(2-chlorophenoxy)pentanehydrazide
CID 63574443

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide (CID 70305466) is N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide is CC(CN(C)C(=O)Cc1ccc(NS(C)(=O)=O)cc1)Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide?
The InChIKey is VKYDSBQTAGAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-14(26-18-7-5-4-6-17(18)20)13-22(2)19(23)12-15-8-10-16(11-9-15)21-27(3,24)25/h4-11,14,21H,12-13H2,1-3H3.
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide?
N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide has a molecular weight of 410.92 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-2-[4-(methanesulfonamido)phenyl]-N-methylacetamide is sourced from PubChem (CID 70305466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).