2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide

C19H23ClN2O3S — CID 133185213

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC(C)c2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-14-9-10-17(11-18(14)20)22(26(3,24)25)13-19(23)21-12-15(2)16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyVHRBHWVYGKAVKZ-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.33
Rot. Bonds7

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide (PubChem CID 133185213) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
PubChem CID133185213
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
SMILESCc1ccc(N(CC(=O)NCC(C)c2ccccc2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C19H23ClN2O3S/c1-14-9-10-17(11-18(14)20)22(26(3,24)25)13-19(23)21-12-15(2)16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,21,23)
InChIKeyVHRBHWVYGKAVKZ-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-N-methylsulfonylanilino)-N-[(2S)-2-phenylpropyl]acetamide
CID 32755968
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-(2-phenylpropyl)acetamide
CID 133229153
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 133189363
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896036
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(3-methylphenyl)-phenylmethyl]acetamide
CID 43896049
4-(3,4-dichloro-N-methylsulfonylanilino)-N-[(2R)-2-phenylpropyl]butanamide
CID 100500066
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 133166319
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)acetamide
CID 75627878
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 998783
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-[(2R)-2-phenylpropyl]acetamide
CID 125058144
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]acetamide
CID 30223325
2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-(2-phenylpropyl)acetamide
CID 133189369

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide (CID 133185213) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide is Cc1ccc(N(CC(=O)NCC(C)c2ccccc2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
The InChIKey is VHRBHWVYGKAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-9-10-17(11-18(14)20)22(26(3,24)25)13-19(23)21-12-15(2)16-7-5-4-6-8-16/h4-11,15H,12-13H2,1-3H3,(H,21,23).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide has a molecular weight of 394.92 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133185213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).