N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide

C18H22ClN3O3S — CID 51710902

IUPACN-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-13(23)21-14-8-10-15(11-9-14)26(24,25)20-12-18(22(2)3)16-6-4-5-7-17(16)19/h4-11,18,20H,12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyJLJREGUFYOCBIZ-SFHVURJKSA-N
MW395.91 g/mol
LogP2.88
Rot. Bonds7

About N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide

N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 51710902) has the molecular formula C18H22ClN3O3S and a molecular weight of 395.91 g/mol. Its IUPAC name is N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
PubChem CID51710902
Molecular FormulaC18H22ClN3O3S
Molecular Weight395.91 g/mol
Exact Mass395.11
IUPAC NameN-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1
InChIInChI=1S/C18H22ClN3O3S/c1-13(23)21-14-8-10-15(11-9-14)26(24,25)20-12-18(22(2)3)16-6-4-5-7-17(16)19/h4-11,18,20H,12H2,1-3H3,(H,21,23)/t18-/m0/s1
InChIKeyJLJREGUFYOCBIZ-SFHVURJKSA-N
XLogP2.88
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide
CID 51710904
3-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 51895775
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
methyl N-[4-[[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]sulfamoyl]phenyl]carbamate
CID 99876233
N-[4-[[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]sulfamoyl]phenyl]acetamide
CID 40860290
2-[(4-acetamidophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 7677315
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694
N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 43062063
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
1-chloro-2-[1-(dimethylamino)-2-(dipropylsulfamoylamino)ethyl]benzene
CID 55627118
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide (CID 51710902) is N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cc1.
What is the InChIKey of N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is JLJREGUFYOCBIZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22ClN3O3S/c1-13(23)21-14-8-10-15(11-9-14)26(24,25)20-12-18(22(2)3)16-6-4-5-7-17(16)19/h4-11,18,20H,12H2,1-3H3,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 395.91 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 51710902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).