N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide

C19H21ClFN3O5S — CID 4840852

IUPACN-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClFN3O5S/c1-28-17-5-3-14(11-18(17)30(26,27)24-6-8-29-9-7-24)22-12-19(25)23-16-4-2-13(20)10-15(16)21/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyAEYWXFYPSGZPNM-UHFFFAOYSA-N
MW457.91 g/mol
LogP2.56
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide

N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 4840852) has the molecular formula C19H21ClFN3O5S and a molecular weight of 457.91 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID4840852
Molecular FormulaC19H21ClFN3O5S
Molecular Weight457.91 g/mol
Exact Mass457.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClFN3O5S/c1-28-17-5-3-14(11-18(17)30(26,27)24-6-8-29-9-7-24)22-12-19(25)23-16-4-2-13(20)10-15(16)21/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25)
InChIKeyAEYWXFYPSGZPNM-UHFFFAOYSA-N
XLogP2.56
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26438859
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4968362
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
4-methoxy-3-morpholin-4-ylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 4845634
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide (CID 4840852) is N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide is COc1ccc(NCC(=O)Nc2ccc(Cl)cc2F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is AEYWXFYPSGZPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O5S/c1-28-17-5-3-14(11-18(17)30(26,27)24-6-8-29-9-7-24)22-12-19(25)23-16-4-2-13(20)10-15(16)21/h2-5,10-11,22H,6-9,12H2,1H3,(H,23,25).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 457.91 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 4840852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).