2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide

C22H30ClN3O5S — CID 44580864

IUPAC2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(Cl)c(N(C)C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(16-9-11-18(23)19(13-16)24(3)4)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3
InChIKeyUOCIZKQLKVHWLY-UHFFFAOYSA-N
MW484.02 g/mol
LogP3.49
Rot. Bonds10

About 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide

2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide (PubChem CID 44580864) has the molecular formula C22H30ClN3O5S and a molecular weight of 484.02 g/mol. Its IUPAC name is 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
PubChem CID44580864
Molecular FormulaC22H30ClN3O5S
Molecular Weight484.02 g/mol
Exact Mass483.16
IUPAC Name2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(c1ccc(Cl)c(N(C)C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(16-9-11-18(23)19(13-16)24(3)4)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3
InChIKeyUOCIZKQLKVHWLY-UHFFFAOYSA-N
XLogP3.49
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.02
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N-ethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 24760156
2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N-ethyl-N-[(6-methylpyrazin-2-yl)methyl]acetamide
CID 24760021
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N,N-diethylacetamide
CID 37498559
2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 99956830
N-[[2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-2-methyl-3H-1,3-thiazol-5-yl]methyl]-N-ethylacetamide
CID 24760521
2-[2-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-5-(dimethylamino)anilino]-N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-cyclopropylacetamide
CID 24760447
3-(3,4-dimethoxyphenyl)sulfonyl-N,N-diethylpropanamide
CID 110414798
4-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]-N,N-diethylbenzamide
CID 126388487
N-butan-2-yl-2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide
CID 132759204
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N,N-dibenzylacetamide
CID 43891625
methyl 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetate
CID 1311116
2-(2,4-dichloro-5-methoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 3458989

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
The IUPAC name of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide (CID 44580864) is 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(c1ccc(Cl)c(N(C)C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
The InChIKey is UOCIZKQLKVHWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30ClN3O5S/c1-7-25(8-2)22(27)15-26(16-9-11-18(23)19(13-16)24(3)4)32(28,29)17-10-12-20(30-5)21(14-17)31-6/h9-14H,7-8,15H2,1-6H3.
What are the key properties of 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide?
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide has a molecular weight of 484.02 g/mol, XLogP of 3.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-3-(dimethylamino)anilino]-N,N-diethylacetamide is sourced from PubChem (CID 44580864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).