(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide

C20H21ClN4O3S — CID 28575022

IUPAC(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H21ClN4O3S/c1-15(25(29(2,27)28)19-5-3-4-17(21)12-19)20(26)23-13-16-6-8-18(9-7-16)24-11-10-22-14-24/h3-12,14-15H,13H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyQOMNYUKEJUMBEM-OAHLLOKOSA-N
MW432.93 g/mol
LogP3.00
Rot. Bonds7

About (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide

(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide (PubChem CID 28575022) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
PubChem CID28575022
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
SMILESC[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H21ClN4O3S/c1-15(25(29(2,27)28)19-5-3-4-17(21)12-19)20(26)23-13-16-6-8-18(9-7-16)24-11-10-22-14-24/h3-12,14-15H,13H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyQOMNYUKEJUMBEM-OAHLLOKOSA-N
XLogP3.00
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 99957828
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92680776
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 92678303
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]propanamide
CID 99130827
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872
N-[(4-chlorophenyl)methyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132660625
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)propanamide
CID 41032121
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-(3-chloro-N-methylsulfonylanilino)-N-methylpropanamide
CID 2987852
2-(3-chloro-N-methylsulfonylanilino)-N-[3-(2-chlorophenyl)propyl]propanamide
CID 132668690
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 28636998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide (CID 28575022) is (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide is C[C@H](C(=O)NCc1ccc(-n2ccnc2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
The InChIKey is QOMNYUKEJUMBEM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClN4O3S/c1-15(25(29(2,27)28)19-5-3-4-17(21)12-19)20(26)23-13-16-6-8-18(9-7-16)24-11-10-22-14-24/h3-12,14-15H,13H2,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide?
(2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide has a molecular weight of 432.93 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 28575022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).