2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C24H28N4O5S — CID 27898430

IUPAC2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O5S/c1-27-11-10-25-24(27)23(19-6-4-3-5-7-19)26-22(29)17-18-8-9-20(32-2)21(16-18)34(30,31)28-12-14-33-15-13-28/h3-11,16,23H,12-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1
InChIKeyGUNILAYPZAYZOS-QHCPKHFHSA-N
MW484.58 g/mol
LogP1.90
Rot. Bonds8

About 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 27898430) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID27898430
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCOc1ccc(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N4O5S/c1-27-11-10-25-24(27)23(19-6-4-3-5-7-19)26-22(29)17-18-8-9-20(32-2)21(16-18)34(30,31)28-12-14-33-15-13-28/h3-11,16,23H,12-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1
InChIKeyGUNILAYPZAYZOS-QHCPKHFHSA-N
XLogP1.90
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide;hydrochloride
CID 120507324
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325158
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55855757
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 30887082
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119433834
2-(3,4-dichlorophenyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 25438234
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 40985124
N-(2-amino-2-methylpropyl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119630260
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 25371569

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 27898430) is 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide is COc1ccc(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is GUNILAYPZAYZOS-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-27-11-10-25-24(27)23(19-6-4-3-5-7-19)26-22(29)17-18-8-9-20(32-2)21(16-18)34(30,31)28-12-14-33-15-13-28/h3-11,16,23H,12-15,17H2,1-2H3,(H,26,29)/t23-/m0/s1.
What are the key properties of 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 484.58 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 27898430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).