(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

C26H26N4O4S — CID 92678303

IUPAC(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C26H26N4O4S/c1-20(26(31)28-18-21-8-10-22(11-9-21)29-17-16-27-19-29)30(35(2,32)33)23-12-14-25(15-13-23)34-24-6-4-3-5-7-24/h3-17,19-20H,18H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKeyWPHMXGNFLRGLDF-HXUWFJFHSA-N
MW490.59 g/mol
LogP4.14
Rot. Bonds9

About (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (PubChem CID 92678303) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
PubChem CID92678303
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
SMILESC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
InChIInChI=1S/C26H26N4O4S/c1-20(26(31)28-18-21-8-10-22(11-9-21)29-17-16-27-19-29)30(35(2,32)33)23-12-14-25(15-13-23)34-24-6-4-3-5-7-24/h3-17,19-20H,18H2,1-2H3,(H,28,31)/t20-/m1/s1
InChIKeyWPHMXGNFLRGLDF-HXUWFJFHSA-N
XLogP4.14
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92680776
(2S)-2-(N-methylsulfonyl-4-phenoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 1079324
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 99957828
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28575022
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132610553
2-(4-fluoro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide
CID 43909207
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
N-[(2-methoxyphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 23740639
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 99958788
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 133162254

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide (CID 92678303) is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide.
What is the SMILES notation for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The canonical SMILES for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is C[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O.
What is the InChIKey of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
The InChIKey is WPHMXGNFLRGLDF-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-20(26(31)28-18-21-8-10-22(11-9-21)29-17-16-27-19-29)30(35(2,32)33)23-12-14-25(15-13-23)34-24-6-4-3-5-7-24/h3-17,19-20H,18H2,1-2H3,(H,28,31)/t20-/m1/s1.
What are the key properties of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide?
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide has a molecular weight of 490.59 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide is sourced from PubChem (CID 92678303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).