2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide

C22H23ClN2O3S — CID 133218795

IUPAC2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCc1ccc(Cl)cc1N(C(C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O
InChIInChI=1S/C22H23ClN2O3S/c1-15-8-11-20(23)13-21(15)25(29(3,27)28)16(2)22(26)24-14-17-9-10-18-6-4-5-7-19(18)12-17/h4-13,16H,14H2,1-3H3,(H,24,26)
InChIKeyKIQFWGQRKGVZCP-UHFFFAOYSA-N
MW430.96 g/mol
LogP4.27
Rot. Bonds6

About 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide

2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide (PubChem CID 133218795) has the molecular formula C22H23ClN2O3S and a molecular weight of 430.96 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
PubChem CID133218795
Molecular FormulaC22H23ClN2O3S
Molecular Weight430.96 g/mol
Exact Mass430.11
IUPAC Name2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
SMILESCc1ccc(Cl)cc1N(C(C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O
InChIInChI=1S/C22H23ClN2O3S/c1-15-8-11-20(23)13-21(15)25(29(3,27)28)16(2)22(26)24-14-17-9-10-18-6-4-5-7-19(18)12-17/h4-13,16H,14H2,1-3H3,(H,24,26)
InChIKeyKIQFWGQRKGVZCP-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 125063438
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 133210611
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 132671749
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218889
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189180
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125070911
(2R)-N-benzyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 124561170
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 133190417
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218878
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132671407
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The IUPAC name of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide (CID 133218795) is 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The canonical SMILES for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide is Cc1ccc(Cl)cc1N(C(C)C(=O)NCc1ccc2ccccc2c1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
The InChIKey is KIQFWGQRKGVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3S/c1-15-8-11-20(23)13-21(15)25(29(3,27)28)16(2)22(26)24-14-17-9-10-18-6-4-5-7-19(18)12-17/h4-13,16H,14H2,1-3H3,(H,24,26).
What are the key properties of 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide?
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide has a molecular weight of 430.96 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide is sourced from PubChem (CID 133218795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).