N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide

C20H25N3O4S — CID 9083306

IUPACN-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-15-3-4-18(13-16(15)2)22-20(24)14-21-17-5-7-19(8-6-17)28(25,26)23-9-11-27-12-10-23/h3-8,13,21H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyQEVHHKDNFJVITR-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.37
Rot. Bonds6

About N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide

N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 9083306) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID9083306
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
InChIInChI=1S/C20H25N3O4S/c1-15-3-4-18(13-16(15)2)22-20(24)14-21-17-5-7-19(8-6-17)28(25,26)23-9-11-27-12-10-23/h3-8,13,21H,9-12,14H2,1-2H3,(H,22,24)
InChIKeyQEVHHKDNFJVITR-UHFFFAOYSA-N
XLogP2.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N'-(3,4-dimethylphenyl)-N-[2-(4-morpholin-4-ylsulfonylphenyl)ethyl]oxamide
CID 30126882
2-(3-chloroanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 26417047
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
methyl 3-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 30766141
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide (CID 9083306) is N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is QEVHHKDNFJVITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-15-3-4-18(13-16(15)2)22-20(24)14-21-17-5-7-19(8-6-17)28(25,26)23-9-11-27-12-10-23/h3-8,13,21H,9-12,14H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide?
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 403.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).