(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C21H26N2O4S — CID 9297404

IUPAC(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-7-6-8-16(2)20(15)27-17(3)21(24)22-18-9-11-19(12-10-18)28(25,26)23-13-4-5-14-23/h6-12,17H,4-5,13-14H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyFAFHZYDOLADXSL-QGZVFWFLSA-N
MW402.52 g/mol
LogP3.49
Rot. Bonds6

About (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 9297404) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID9297404
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-7-6-8-16(2)20(15)27-17(3)21(24)22-18-9-11-19(12-10-18)28(25,26)23-13-4-5-14-23/h6-12,17H,4-5,13-14H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyFAFHZYDOLADXSL-QGZVFWFLSA-N
XLogP3.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 7760214
2-phenoxy-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2948246
2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 4944790
2-(3,5-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17106280
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
(2R)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 30387596
(2S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100517901
(2S)-2-(3,5-dimethoxyphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41156755
2-(2,6-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 2212028
(2S)-2-(3-nitrophenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 7865173
2-(4-chlorophenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 4943957
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-tert-butylphenoxy)propanamide
CID 17046270

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 9297404) is (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is FAFHZYDOLADXSL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-7-6-8-16(2)20(15)27-17(3)21(24)22-18-9-11-19(12-10-18)28(25,26)23-13-4-5-14-23/h6-12,17H,4-5,13-14H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 402.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 9297404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).