N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide

C19H20ClF2N3O5S — CID 37496456

IUPACN-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H20ClF2N3O5S/c1-3-25(11-18(27)24-14-6-4-13(5-7-14)23-12(2)26)31(28,29)15-8-9-17(16(20)10-15)30-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHPSWRAZTEHQDSX-UHFFFAOYSA-N
MW475.90 g/mol
LogP3.55
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide

N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide (PubChem CID 37496456) has the molecular formula C19H20ClF2N3O5S and a molecular weight of 475.90 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
PubChem CID37496456
Molecular FormulaC19H20ClF2N3O5S
Molecular Weight475.90 g/mol
Exact Mass475.08
IUPAC NameN-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide
SMILESCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C19H20ClF2N3O5S/c1-3-25(11-18(27)24-14-6-4-13(5-7-14)23-12(2)26)31(28,29)15-8-9-17(16(20)10-15)30-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyHPSWRAZTEHQDSX-UHFFFAOYSA-N
XLogP3.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.90
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(4-chlorophenyl)acetamide
CID 45373905
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 92645661
N-(4-acetamidophenyl)-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2546752
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797095
2-[4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetamide
CID 100798066
ethyl 2-[4-[[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]amino]phenyl]acetate
CID 100798064
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26835965
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100798613
N-(4-acetamidophenyl)-2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetamide
CID 7937656
N-(3,4-dichlorophenyl)-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 3994526
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-ethoxyphenyl)acetamide
CID 45373932

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide (CID 37496456) is N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide is CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide?
The InChIKey is HPSWRAZTEHQDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF2N3O5S/c1-3-25(11-18(27)24-14-6-4-13(5-7-14)23-12(2)26)31(28,29)15-8-9-17(16(20)10-15)30-19(21)22/h4-10,19H,3,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide?
N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide has a molecular weight of 475.90 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-ethylamino]acetamide is sourced from PubChem (CID 37496456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).