(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C21H24N4O4S — CID 92680776

IUPAC(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-16(25(30(3,27)28)19-8-10-20(29-2)11-9-19)21(26)23-14-17-4-6-18(7-5-17)24-13-12-22-15-24/h4-13,15-16H,14H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyZDWVCIOAGTVLCU-MRXNPFEDSA-N
MW428.51 g/mol
LogP2.35
Rot. Bonds8

About (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 92680776) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID92680776
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H24N4O4S/c1-16(25(30(3,27)28)19-8-10-20(29-2)11-9-19)21(26)23-14-17-4-6-18(7-5-17)24-13-12-22-15-24/h4-13,15-16H,14H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyZDWVCIOAGTVLCU-MRXNPFEDSA-N
XLogP2.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92678303
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 99957828
N-[(2-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132610553
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28575022
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471
2-(4-fluoro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]butanamide
CID 43909207
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 132947898
2-(4-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218780
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 99959242
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
(2S)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 99958788
2-(3,5-dichloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 132669261

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 92680776) is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N([C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is ZDWVCIOAGTVLCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-16(25(30(3,27)28)19-8-10-20(29-2)11-9-19)21(26)23-14-17-4-6-18(7-5-17)24-13-12-22-15-24/h4-13,15-16H,14H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 428.51 g/mol, XLogP of 2.35, 8 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-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 92680776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).