(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

C24H24BrClN2O4S — CID 94861073

IUPAC(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C24H24BrClN2O4S/c1-16(18-8-10-19(25)11-9-18)27-24(29)21(14-17-6-4-3-5-7-17)28-33(30,31)23-15-20(26)12-13-22(23)32-2/h3-13,15-16,21,28H,14H2,1-2H3,(H,27,29)/t16-,21+/m0/s1
InChIKeyLKHQNFCWGXVYPW-HRAATJIYSA-N
MW551.89 g/mol
LogP4.88
Rot. Bonds9

About (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide

(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 94861073) has the molecular formula C24H24BrClN2O4S and a molecular weight of 551.89 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID94861073
Molecular FormulaC24H24BrClN2O4S
Molecular Weight551.89 g/mol
Exact Mass550.03
IUPAC Name(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C24H24BrClN2O4S/c1-16(18-8-10-19(25)11-9-18)27-24(29)21(14-17-6-4-3-5-7-17)28-33(30,31)23-15-20(26)12-13-22(23)32-2/h3-13,15-16,21,28H,14H2,1-2H3,(H,27,29)/t16-,21+/m0/s1
InChIKeyLKHQNFCWGXVYPW-HRAATJIYSA-N
XLogP4.88
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.89
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28543081
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 92645898
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 99945696
N-[1-(4-chlorophenyl)ethyl]-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 43871442
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645866
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28542324
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94863030
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645904
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645902
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 28542438
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2R)-N-(4-chloro-2,5-dimethoxyphenyl)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94861070

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide (CID 94861073) is (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is LKHQNFCWGXVYPW-HRAATJIYSA-N. The full InChI is InChI=1S/C24H24BrClN2O4S/c1-16(18-8-10-19(25)11-9-18)27-24(29)21(14-17-6-4-3-5-7-17)28-33(30,31)23-15-20(26)12-13-22(23)32-2/h3-13,15-16,21,28H,14H2,1-2H3,(H,27,29)/t16-,21+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide?
(2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 551.89 g/mol, XLogP of 4.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 94861073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).