3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide

C24H26N2O4S — CID 100730114

IUPAC3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H26N2O4S/c1-30-23-13-12-20(31(28,29)26-15-4-5-16-26)17-19(23)11-14-24(27)25-22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-10,12-13,17H,4-5,11,14-16H2,1H3,(H,25,27)
InChIKeyWEDZVCYEKWZRSW-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.20
Rot. Bonds7

About 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide

3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide (PubChem CID 100730114) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
PubChem CID100730114
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C24H26N2O4S/c1-30-23-13-12-20(31(28,29)26-15-4-5-16-26)17-19(23)11-14-24(27)25-22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-10,12-13,17H,4-5,11,14-16H2,1H3,(H,25,27)
InChIKeyWEDZVCYEKWZRSW-UHFFFAOYSA-N
XLogP4.20
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(2-methylphenyl)propanamide
CID 100747000
N-(2-bromophenyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100511227
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-(2-phenylsulfanylphenyl)propanamide
CID 100617845
N-(2,4-dimethoxyphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100718511
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methoxyphenyl)propanamide
CID 55370121
2-[3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanoylamino]-N-propylbenzamide
CID 100768401
N-(3-acetylphenyl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 100526473
3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-N-(3-methylphenyl)propanamide
CID 100504157
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 100767673
methyl 4-[3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanoylamino]benzoate
CID 100566364
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-pentan-3-ylpropanamide
CID 100725262
methyl 3-[3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanoylamino]-2-methylbenzoate
CID 100692700

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide (CID 100730114) is 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide is COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide?
The InChIKey is WEDZVCYEKWZRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-30-23-13-12-20(31(28,29)26-15-4-5-16-26)17-19(23)11-14-24(27)25-22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-10,12-13,17H,4-5,11,14-16H2,1H3,(H,25,27).
What are the key properties of 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide?
3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide has a molecular weight of 438.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 100730114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).