N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide

C19H24ClN3O3S — CID 55549796

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2N(C)C)cc1C
InChIInChI=1S/C19H24ClN3O3S/c1-13-6-8-16(10-14(13)2)27(25,26)23(5)12-19(24)21-17-11-15(20)7-9-18(17)22(3)4/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeyCWHJQUJPIGLYEJ-UHFFFAOYSA-N
MW409.94 g/mol
LogP3.28
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide (PubChem CID 55549796) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
PubChem CID55549796
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2N(C)C)cc1C
InChIInChI=1S/C19H24ClN3O3S/c1-13-6-8-16(10-14(13)2)27(25,26)23(5)12-19(24)21-17-11-15(20)7-9-18(17)22(3)4/h6-11H,12H2,1-5H3,(H,21,24)
InChIKeyCWHJQUJPIGLYEJ-UHFFFAOYSA-N
XLogP3.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,4-dichlorophenyl)acetamide
CID 1330087
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45372744
methyl 4-chloro-3-[[2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetyl]amino]benzoate
CID 38039964
2-chloro-N-[5-chloro-2-(dimethylamino)phenyl]acetamide
CID 3710309
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2709829
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-(5-chloro-2-methylphenyl)acetamide
CID 45373346
N-[5-chloro-2-(dimethylamino)phenyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336973
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(3,4-dimethylphenyl)acetamide
CID 17027740
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2,5-dibromophenyl)acetamide
CID 39166749
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-pyridin-2-ylacetamide
CID 25343534
N-(5-chloro-2-methylphenyl)-2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1337126

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide (CID 55549796) is N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)ccc2N(C)C)cc1C.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
The InChIKey is CWHJQUJPIGLYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-13-6-8-16(10-14(13)2)27(25,26)23(5)12-19(24)21-17-11-15(20)7-9-18(17)22(3)4/h6-11H,12H2,1-5H3,(H,21,24).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide has a molecular weight of 409.94 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 55549796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).