2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

C20H24ClN3O6S — CID 26438859

IUPAC2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C20H24ClN3O6S/c1-28-17-5-3-14(11-16(17)21)22-13-20(25)23-15-4-6-18(29-2)19(12-15)31(26,27)24-7-9-30-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25)
InChIKeySWIDGLLEIKEZER-UHFFFAOYSA-N
MW469.95 g/mol
LogP2.43
Rot. Bonds8

About 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 26438859) has the molecular formula C20H24ClN3O6S and a molecular weight of 469.95 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID26438859
Molecular FormulaC20H24ClN3O6S
Molecular Weight469.95 g/mol
Exact Mass469.11
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl
InChIInChI=1S/C20H24ClN3O6S/c1-28-17-5-3-14(11-16(17)21)22-13-20(25)23-15-4-6-18(29-2)19(12-15)31(26,27)24-7-9-30-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25)
InChIKeySWIDGLLEIKEZER-UHFFFAOYSA-N
XLogP2.43
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4968362
2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-N-(4-methoxyphenyl)acetamide
CID 4289049
2-(3,5-difluoroanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 24562331
2-(3-chloro-2-methylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417504
N-(4-chloro-2-fluorophenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)acetamide
CID 4840852
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 18892295
2-(2,5-dimethylanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 4969625
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 8800294
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-4-(methylamino)butanamide
CID 119677486
N-(3,4-dimethylphenyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 26593882
N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2,2-dimethylpropanamide
CID 4578456

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide (CID 26438859) is 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is COc1ccc(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is SWIDGLLEIKEZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O6S/c1-28-17-5-3-14(11-16(17)21)22-13-20(25)23-15-4-6-18(29-2)19(12-15)31(26,27)24-7-9-30-10-8-24/h3-6,11-12,22H,7-10,13H2,1-2H3,(H,23,25).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 469.95 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 26438859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).