N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C27H30N2O4S — CID 55889452

IUPACN-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C27H30N2O4S/c1-21-9-15-25(26(19-21)33-20-23-7-3-2-4-8-23)28-27(30)16-12-22-10-13-24(14-11-22)34(31,32)29-17-5-6-18-29/h2-4,7-11,13-15,19H,5-6,12,16-18,20H2,1H3,(H,28,30)
InChIKeyLUXWRTFUAKYVRT-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.93
Rot. Bonds9

About N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55889452) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID55889452
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OCc2ccccc2)c1
InChIInChI=1S/C27H30N2O4S/c1-21-9-15-25(26(19-21)33-20-23-7-3-2-4-8-23)28-27(30)16-12-22-10-13-24(14-11-22)34(31,32)29-17-5-6-18-29/h2-4,7-11,13-15,19H,5-6,12,16-18,20H2,1H3,(H,28,30)
InChIKeyLUXWRTFUAKYVRT-UHFFFAOYSA-N
XLogP4.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-5-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60561901
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27445242
N-(2-hydroxy-4-methylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2103502
N-(4-methyl-2-pyridinyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 35029071
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334
N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55707386
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
N-(4-bromo-2-chlorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24505995
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 55889452) is N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is LUXWRTFUAKYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-21-9-15-25(26(19-21)33-20-23-7-3-2-4-8-23)28-27(30)16-12-22-10-13-24(14-11-22)34(31,32)29-17-5-6-18-29/h2-4,7-11,13-15,19H,5-6,12,16-18,20H2,1H3,(H,28,30).
What are the key properties of N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 478.61 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55889452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).