2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide

C20H23ClN2O3S — CID 39171702

IUPAC2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CSc2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-3-23(4-2)20(25)13-26-18-11-10-15(12-17(18)21)22-19(24)14-27-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyCMCYDONQKQNPSN-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.32
Rot. Bonds9

About 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide

2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide (PubChem CID 39171702) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
PubChem CID39171702
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(NC(=O)CSc2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-3-23(4-2)20(25)13-26-18-11-10-15(12-17(18)21)22-19(24)14-27-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)
InChIKeyCMCYDONQKQNPSN-UHFFFAOYSA-N
XLogP4.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-chlorophenoxy)acetamide
CID 55611272
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119717715
5-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 34354427
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-indol-1-ylpropanamide
CID 55619888
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-propan-2-yloxypropanamide
CID 55611108
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516265
4-amino-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-methoxybutanamide
CID 120588524
2-[[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180625
3-bromo-N-[2-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]anilino]-2-oxoethyl]benzamide
CID 46423639
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-3-ethoxybenzamide
CID 55872621

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide (CID 39171702) is 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(NC(=O)CSc2ccccc2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide?
The InChIKey is CMCYDONQKQNPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-3-23(4-2)20(25)13-26-18-11-10-15(12-17(18)21)22-19(24)14-27-16-8-6-5-7-9-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide?
2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide has a molecular weight of 406.94 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(2-phenylsulfanylacetyl)amino]phenoxy]-N,N-diethylacetamide is sourced from PubChem (CID 39171702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).