(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

C19H18F6N2O5S — CID 28549200

IUPAC(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H18F6N2O5S/c1-10(27-33(29,30)14-4-5-15(31-2)16(9-14)32-3)17(28)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-10,27H,1-3H3,(H,26,28)/t10-/m1/s1
InChIKeyARWRGLSDGJJVGB-SNVBAGLBSA-N
MW500.42 g/mol
LogP4.05
Rot. Bonds7

About (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide

(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (PubChem CID 28549200) has the molecular formula C19H18F6N2O5S and a molecular weight of 500.42 g/mol. Its IUPAC name is (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
PubChem CID28549200
Molecular FormulaC19H18F6N2O5S
Molecular Weight500.42 g/mol
Exact Mass500.08
IUPAC Name(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C19H18F6N2O5S/c1-10(27-33(29,30)14-4-5-15(31-2)16(9-14)32-3)17(28)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-10,27H,1-3H3,(H,26,28)/t10-/m1/s1
InChIKeyARWRGLSDGJJVGB-SNVBAGLBSA-N
XLogP4.05
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41302643
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 28549157
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274
(2R)-N-(2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339684
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145
N-(2,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 3958242
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2R)-N-(2,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339682
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 126394180
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide (CID 28549200) is (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is ARWRGLSDGJJVGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18F6N2O5S/c1-10(27-33(29,30)14-4-5-15(31-2)16(9-14)32-3)17(28)26-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h4-10,27H,1-3H3,(H,26,28)/t10-/m1/s1.
What are the key properties of (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide?
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 500.42 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 28549200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).