N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide

C19H25N3O4S — CID 110407309

IUPACN-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25N3O4S/c1-13-10-17(26-5)11-14(2)19(13)27(24,25)20-12-18(23)21-15-6-8-16(9-7-15)22(3)4/h6-11,20H,12H2,1-5H3,(H,21,23)
InChIKeySWODBWVOMLVHQD-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.30
Rot. Bonds7

About N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide

N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide (PubChem CID 110407309) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
PubChem CID110407309
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC NameN-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c(C)c1
InChIInChI=1S/C19H25N3O4S/c1-13-10-17(26-5)11-14(2)19(13)27(24,25)20-12-18(23)21-15-6-8-16(9-7-15)22(3)4/h6-11,20H,12H2,1-5H3,(H,21,23)
InChIKeySWODBWVOMLVHQD-UHFFFAOYSA-N
XLogP2.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407286
N-[4-(dimethylamino)phenyl]-2-[(2,4-dimethylphenyl)sulfonylamino]acetamide
CID 110407276
2-[(4-tert-butylphenyl)sulfonylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110601053
N-(4-tert-butylphenyl)-2-[(4-methoxy-2-methylphenyl)sulfonylamino]acetamide
CID 112997613
N-(3-chloro-4-methoxyphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 1314189
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
2-(1,3-benzodioxol-5-ylsulfonylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 110407287
(3-methylphenyl) 2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetate
CID 110670495
4-(dimethylamino)-N-[4-[3-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]propanoylamino]phenyl]butanamide
CID 59597782
N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenoxy)propanamide
CID 110678384
N-(3-chloro-4-methylphenyl)-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112998200
2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 112996215

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide (CID 110407309) is N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide is COc1cc(C)c(S(=O)(=O)NCC(=O)Nc2ccc(N(C)C)cc2)c(C)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide?
The InChIKey is SWODBWVOMLVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-13-10-17(26-5)11-14(2)19(13)27(24,25)20-12-18(23)21-15-6-8-16(9-7-15)22(3)4/h6-11,20H,12H2,1-5H3,(H,21,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide?
N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide has a molecular weight of 391.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 110407309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).