N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide

C22H25Cl2NO4S — CID 123533987

IUPACN-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCOc1cc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1N(C(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C22H25Cl2NO4S/c1-22(2,3)21(26)25(16-7-8-16)20-18(24)11-14(12-19(20)29-4)13-30(27,28)17-9-5-15(23)6-10-17/h5-6,9-12,16H,7-8,13H2,1-4H3
InChIKeyDVYGLBNMMXHPDH-UHFFFAOYSA-N
MW470.42 g/mol
LogP5.52
Rot. Bonds6

About N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide

N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide (PubChem CID 123533987) has the molecular formula C22H25Cl2NO4S and a molecular weight of 470.42 g/mol. Its IUPAC name is N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide
PubChem CID123533987
Molecular FormulaC22H25Cl2NO4S
Molecular Weight470.42 g/mol
Exact Mass469.09
IUPAC NameN-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide
SMILESCOc1cc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1N(C(=O)C(C)(C)C)C1CC1
InChIInChI=1S/C22H25Cl2NO4S/c1-22(2,3)21(26)25(16-7-8-16)20-18(24)11-14(12-19(20)29-4)13-30(27,28)17-9-5-15(23)6-10-17/h5-6,9-12,16H,7-8,13H2,1-4H3
InChIKeyDVYGLBNMMXHPDH-UHFFFAOYSA-N
XLogP5.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluoro-6-methoxyphenyl)-N-cyclobutyl-2,2-dimethylpropanamide
CID 123337325
2-(4-chlorophenyl)sulfonyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 34441922
N-[2-chloro-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-N-ethyl-2,2-dimethylpropanamide
CID 123163392
ethane;methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-fluoro-5-methoxybenzoate
CID 144575126
[3-[(4-chlorophenyl)sulfonylmethyl]-4-methoxyphenyl]methanamine
CID 64640596
N-[5-[(4-chlorophenyl)sulfonylmethyl]-2-pyridinyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 123161330
N-[2-chloro-5-[4-(4-chlorophenyl)sulfonyloxan-4-yl]phenyl]-N-cyclobutyl-2,2-dimethylpropanamide
CID 123245275
methyl (4R)-4-(4-chlorophenyl)-6-[(3,4-dimethoxyphenyl)sulfonylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41435031
[5-[[acetyl(cyclopropyl)amino]methyl]-2-methoxyphenyl] 3,4-dichlorobenzenesulfonate
CID 71955437
ethyl 6-[(4-chlorophenyl)sulfonylmethyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 16798705
4-[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(2,2-dimethylpropanoyl)amino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 69242418
5-[(4-chlorophenyl)sulfonylmethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 4104667

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The IUPAC name of N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide (CID 123533987) is N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide is COc1cc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Cl)c1N(C(=O)C(C)(C)C)C1CC1.
What is the InChIKey of N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
The InChIKey is DVYGLBNMMXHPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2NO4S/c1-22(2,3)21(26)25(16-7-8-16)20-18(24)11-14(12-19(20)29-4)13-30(27,28)17-9-5-15(23)6-10-17/h5-6,9-12,16H,7-8,13H2,1-4H3.
What are the key properties of N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide?
N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide has a molecular weight of 470.42 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-[(4-chlorophenyl)sulfonylmethyl]-6-methoxyphenyl]-N-cyclopropyl-2,2-dimethylpropanamide is sourced from PubChem (CID 123533987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).