N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

C22H24N4O4S — CID 30382359

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-17-2-7-20(31(28,29)26-10-12-30-13-11-26)14-21(17)22(27)24-15-18-3-5-19(6-4-18)25-9-8-23-16-25/h2-9,14,16H,10-13,15H2,1H3,(H,24,27)
InChIKeyAZSWKWOBJRCFCS-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.13
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 30382359) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID30382359
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O4S/c1-17-2-7-20(31(28,29)26-10-12-30-13-11-26)14-21(17)22(27)24-15-18-3-5-19(6-4-18)25-9-8-23-16-25/h2-9,14,16H,10-13,15H2,1H3,(H,24,27)
InChIKeyAZSWKWOBJRCFCS-UHFFFAOYSA-N
XLogP2.13
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 3505589
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 35859072
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 2478492
2-methyl-5-morpholin-4-ylsulfonyl-N-(2-pyridin-3-ylethyl)benzamide
CID 55555141
2-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 92672176
5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
2-methyl-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43909877
2-fluoro-5-morpholin-4-ylsulfonyl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732332
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 55744204
2-methyl-5-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
CID 25162643
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-5-morpholin-4-ylsulfonylbenzamide
CID 86954311

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide (CID 30382359) is N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is AZSWKWOBJRCFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-17-2-7-20(31(28,29)26-10-12-30-13-11-26)14-21(17)22(27)24-15-18-3-5-19(6-4-18)25-9-8-23-16-25/h2-9,14,16H,10-13,15H2,1H3,(H,24,27).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 440.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30382359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).