N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide

C22H27Cl2N3O4S — CID 4831808

IUPACN-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C22H27Cl2N3O4S/c1-2-3-9-25-20-8-7-16(32(29,30)27-10-12-31-13-11-27)14-21(20)26-22(28)15-17-18(23)5-4-6-19(17)24/h4-8,14,25H,2-3,9-13,15H2,1H3,(H,26,28)
InChIKeyMQMORGBVCFQQHS-UHFFFAOYSA-N
MW500.45 g/mol
LogP4.41
Rot. Bonds9

About N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 4831808) has the molecular formula C22H27Cl2N3O4S and a molecular weight of 500.45 g/mol. Its IUPAC name is N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID4831808
Molecular FormulaC22H27Cl2N3O4S
Molecular Weight500.45 g/mol
Exact Mass499.11
IUPAC NameN-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C22H27Cl2N3O4S/c1-2-3-9-25-20-8-7-16(32(29,30)27-10-12-31-13-11-27)14-21(20)26-22(28)15-17-18(23)5-4-6-19(17)24/h4-8,14,25H,2-3,9-13,15H2,1H3,(H,26,28)
InChIKeyMQMORGBVCFQQHS-UHFFFAOYSA-N
XLogP4.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.45
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-dichlorophenyl)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 4881777
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119680614
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-[2-(ethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(1H-indol-3-yl)acetamide
CID 25342748
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)hexanamide
CID 26289530
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-[2-(butylcarbamoyl)phenyl]-2-chloro-5-morpholin-4-ylsulfonylbenzamide
CID 28590712
4-morpholin-4-ylsulfonyl-2-nitro-N-pentylaniline
CID 40714555
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
2-chloro-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)acetamide
CID 5092221

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide (CID 4831808) is N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide is CCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is MQMORGBVCFQQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O4S/c1-2-3-9-25-20-8-7-16(32(29,30)27-10-12-31-13-11-27)14-21(20)26-22(28)15-17-18(23)5-4-6-19(17)24/h4-8,14,25H,2-3,9-13,15H2,1H3,(H,26,28).
What are the key properties of N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 500.45 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 4831808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).