N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide

C17H18Cl2N2O4S — CID 8797504

IUPACN-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1NC(C)=O
InChIInChI=1S/C17H18Cl2N2O4S/c1-10(14-6-4-12(18)8-15(14)19)21-26(23,24)13-5-7-17(25-3)16(9-13)20-11(2)22/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyYQEWOEDVBATCPC-JTQLQIEISA-N
MW417.31 g/mol
LogP4.00
Rot. Bonds6

About N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide

N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide (PubChem CID 8797504) has the molecular formula C17H18Cl2N2O4S and a molecular weight of 417.31 g/mol. Its IUPAC name is N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
PubChem CID8797504
Molecular FormulaC17H18Cl2N2O4S
Molecular Weight417.31 g/mol
Exact Mass416.04
IUPAC NameN-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1NC(C)=O
InChIInChI=1S/C17H18Cl2N2O4S/c1-10(14-6-4-12(18)8-15(14)19)21-26(23,24)13-5-7-17(25-3)16(9-13)20-11(2)22/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1
InChIKeyYQEWOEDVBATCPC-JTQLQIEISA-N
XLogP4.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.31
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
(2S)-2-(3-chlorophenoxy)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 92679623
N-[5-[[(1R)-1-(furan-2-yl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8817620
N-[2-methoxy-5-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 9190712
methyl 3-[[(1R)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]benzoate
CID 31761098
N-[5-[[(2R)-1-aminopropan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 104873300
N-[2-chloro-4-[(5-chloro-2-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 25042468
N-(5-acetamido-2-methoxyphenyl)-2-[1-(2,4-dichlorophenyl)ethylamino]propanamide
CID 46527155
2-(2,4-dichlorophenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 3593320

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide (CID 8797504) is N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1NC(C)=O.
What is the InChIKey of N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
The InChIKey is YQEWOEDVBATCPC-JTQLQIEISA-N. The full InChI is InChI=1S/C17H18Cl2N2O4S/c1-10(14-6-4-12(18)8-15(14)19)21-26(23,24)13-5-7-17(25-3)16(9-13)20-11(2)22/h4-10,21H,1-3H3,(H,20,22)/t10-/m0/s1.
What are the key properties of N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide?
N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide has a molecular weight of 417.31 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1S)-1-(2,4-dichlorophenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 8797504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).