(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide

C22H22FN3O4S — CID 41153855

IUPAC(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O4S/c1-15(22(27)25-20-5-3-4-6-21(20)30-2)24-17-9-11-18(12-10-17)26-31(28,29)19-13-7-16(23)8-14-19/h3-15,24,26H,1-2H3,(H,25,27)/t15-/m1/s1
InChIKeyFXEAWOBQWCOFQE-OAHLLOKOSA-N
MW443.50 g/mol
LogP4.07
Rot. Bonds8

About (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide

(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide (PubChem CID 41153855) has the molecular formula C22H22FN3O4S and a molecular weight of 443.50 g/mol. Its IUPAC name is (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
PubChem CID41153855
Molecular FormulaC22H22FN3O4S
Molecular Weight443.50 g/mol
Exact Mass443.13
IUPAC Name(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN3O4S/c1-15(22(27)25-20-5-3-4-6-21(20)30-2)24-17-9-11-18(12-10-17)26-31(28,29)19-13-7-16(23)8-14-19/h3-15,24,26H,1-2H3,(H,25,27)/t15-/m1/s1
InChIKeyFXEAWOBQWCOFQE-OAHLLOKOSA-N
XLogP4.07
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
2-(4-methoxyanilino)-N-(2-methoxyphenyl)propanamide
CID 17397275
4-[[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798118
4-[[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 30798117
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
N-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]propanamide
CID 17478192
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
2-(4-methoxy-3-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 87033331
2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 2332788
N-(2-methoxyphenyl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7939173
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide (CID 41153855) is (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is FXEAWOBQWCOFQE-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22FN3O4S/c1-15(22(27)25-20-5-3-4-6-21(20)30-2)24-17-9-11-18(12-10-17)26-31(28,29)19-13-7-16(23)8-14-19/h3-15,24,26H,1-2H3,(H,25,27)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide?
(2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 443.50 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 41153855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).