(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

C23H23ClN2O5S — CID 100784613

IUPAC(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-30-18-11-8-16(9-12-18)20(26-32(2,28)29)15-23(27)25-21-14-17(24)10-13-22(21)31-19-6-4-3-5-7-19/h3-14,20,26H,15H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyYMECYNQBABIPBP-HXUWFJFHSA-N
MW474.97 g/mol
LogP4.76
Rot. Bonds9

About (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide

(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (PubChem CID 100784613) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
PubChem CID100784613
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC Name(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)NS(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-30-18-11-8-16(9-12-18)20(26-32(2,28)29)15-23(27)25-21-14-17(24)10-13-22(21)31-19-6-4-3-5-7-19/h3-14,20,26H,15H2,1-2H3,(H,25,27)/t20-/m1/s1
InChIKeyYMECYNQBABIPBP-HXUWFJFHSA-N
XLogP4.76
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.97
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(4-chloro-2-methylphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784376
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-phenoxyphenyl)propanamide
CID 100784435
(3R)-N-(2,4-dimethoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide
CID 100784438
(3S)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783701
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-phenylpropanamide
CID 133255245
(3R)-3-(4-chlorophenyl)-3-(methanesulfonamido)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 100783542
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 133255422
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 55687945
3-(methanesulfonamido)-3-(4-methoxyphenyl)propanoic acid
CID 112509655
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-phenoxyphenyl)propanamide
CID 133255173

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide (CID 100784613) is (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)NS(C)(=O)=O)cc1.
What is the InChIKey of (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
The InChIKey is YMECYNQBABIPBP-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-30-18-11-8-16(9-12-18)20(26-32(2,28)29)15-23(27)25-21-14-17(24)10-13-22(21)31-19-6-4-3-5-7-19/h3-14,20,26H,15H2,1-2H3,(H,25,27)/t20-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide?
(3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide has a molecular weight of 474.97 g/mol, XLogP of 4.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-phenoxyphenyl)-3-(methanesulfonamido)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 100784613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).