2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

C30H31ClN2O4S — CID 43895020

IUPAC2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C30H31ClN2O4S/c1-21-11-14-26(15-12-21)38(35,36)33(25-13-16-29(37-3)28(31)18-25)20-30(34)32-19-22(2)17-24-9-6-8-23-7-4-5-10-27(23)24/h4-16,18,22H,17,19-20H2,1-3H3,(H,32,34)
InChIKeyFWLHEMMHZRDQOA-UHFFFAOYSA-N
MW551.11 g/mol
LogP6.00
Rot. Bonds10

About 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (PubChem CID 43895020) has the molecular formula C30H31ClN2O4S and a molecular weight of 551.11 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
PubChem CID43895020
Molecular FormulaC30H31ClN2O4S
Molecular Weight551.11 g/mol
Exact Mass550.17
IUPAC Name2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C30H31ClN2O4S/c1-21-11-14-26(15-12-21)38(35,36)33(25-13-16-29(37-3)28(31)18-25)20-30(34)32-19-22(2)17-24-9-6-8-23-7-4-5-10-27(23)24/h4-16,18,22H,17,19-20H2,1-3H3,(H,32,34)
InChIKeyFWLHEMMHZRDQOA-UHFFFAOYSA-N
XLogP6.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.11
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896945
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892752
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896036
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43892591
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-chlorophenyl)methyl]acetamide
CID 1336185
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43896375
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 30307425
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 30307440
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 100563252
N-(anthracen-9-ylmethylideneamino)-2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3610498
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51344682
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide
CID 43895321

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide (CID 43895020) is 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is COc1ccc(N(CC(=O)NCC(C)Cc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
The InChIKey is FWLHEMMHZRDQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O4S/c1-21-11-14-26(15-12-21)38(35,36)33(25-13-16-29(37-3)28(31)18-25)20-30(34)32-19-22(2)17-24-9-6-8-23-7-4-5-10-27(23)24/h4-16,18,22H,17,19-20H2,1-3H3,(H,32,34).
What are the key properties of 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide?
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide has a molecular weight of 551.11 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-methyl-3-naphthalen-1-ylpropyl)acetamide is sourced from PubChem (CID 43895020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).