N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide

C25H25ClFN3O4S — CID 145231824

IUPACN-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(Cl)ccc3F)cn2)cc1
InChIInChI=1S/C25H25ClFN3O4S/c1-4-35(33,34)19-9-5-16(6-10-19)13-23(31)30-22-12-7-17(15-28-22)25(2,3)24(32)29-21-14-18(26)8-11-20(21)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,32)(H,28,30,31)
InChIKeyKIXGAPNUDZPNKD-UHFFFAOYSA-N
MW518.01 g/mol
LogP4.77
Rot. Bonds8

About N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide

N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide (PubChem CID 145231824) has the molecular formula C25H25ClFN3O4S and a molecular weight of 518.01 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide
PubChem CID145231824
Molecular FormulaC25H25ClFN3O4S
Molecular Weight518.01 g/mol
Exact Mass517.12
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(Cl)ccc3F)cn2)cc1
InChIInChI=1S/C25H25ClFN3O4S/c1-4-35(33,34)19-9-5-16(6-10-19)13-23(31)30-22-12-7-17(15-28-22)25(2,3)24(32)29-21-14-18(26)8-11-20(21)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,32)(H,28,30,31)
InChIKeyKIXGAPNUDZPNKD-UHFFFAOYSA-N
XLogP4.77
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.01
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-pyridinyl]acetamide
CID 118144406
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-(2,4-difluorophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145925
N-[6-[2-(4-bromophenyl)-2-methylpropanoyl]-3-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 167156763
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(butylamino)-2-pyridinyl]-2-(4-chlorophenyl)acetamide
CID 113023990
2-(4-aminophenyl)-N-(5-chloro-2-fluorophenyl)acetamide
CID 43438160
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
N-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113027267
2-(4-ethylsulfonylphenyl)-N-[4-(2-methoxypropan-2-yl)phenyl]acetamide
CID 155529665
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide (CID 145231824) is N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(C)(C)C(=O)Nc3cc(Cl)ccc3F)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is KIXGAPNUDZPNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN3O4S/c1-4-35(33,34)19-9-5-16(6-10-19)13-23(31)30-22-12-7-17(15-28-22)25(2,3)24(32)29-21-14-18(26)8-11-20(21)27/h5-12,14-15H,4,13H2,1-3H3,(H,29,32)(H,28,30,31).
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide?
N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 518.01 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-fluorophenyl)-2-[6-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 145231824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).