N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide

C26H25N5O4S — CID 6979157

IUPACN-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H25N5O4S/c1-18(32)27-21-11-15-23(16-12-21)36(34,35)29-31-25(20-7-5-4-6-8-20)28-24(26(31)33)17-19-9-13-22(14-10-19)30(2)3/h4-17,29H,1-3H3,(H,27,32)/b24-17+
InChIKeyCODAQRPTOPPOQY-JJIBRWJFSA-N
MW503.58 g/mol
LogP3.23
Rot. Bonds7

About N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide

N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide (PubChem CID 6979157) has the molecular formula C26H25N5O4S and a molecular weight of 503.58 g/mol. Its IUPAC name is N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
PubChem CID6979157
Molecular FormulaC26H25N5O4S
Molecular Weight503.58 g/mol
Exact Mass503.16
IUPAC NameN-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C26H25N5O4S/c1-18(32)27-21-11-15-23(16-12-21)36(34,35)29-31-25(20-7-5-4-6-8-20)28-24(26(31)33)17-19-9-13-22(14-10-19)30(2)3/h4-17,29H,1-3H3,(H,27,32)/b24-17+
InChIKeyCODAQRPTOPPOQY-JJIBRWJFSA-N
XLogP3.23
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide
CID 1275634
2-[[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 10624717
N-[4-[4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfonylphenyl]acetamide
CID 3895481
2,4,4,4-tetrachloro-N-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]butanamide
CID 6294282
N-[4-[4-[[4-(diethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]acetamide
CID 3701856
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-phenylimidazol-4-one
CID 46898573
(E)-3-[4-[[(4E)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]prop-2-enoic acid
CID 6979120
(5Z)-3-anilino-2-(4-methylphenyl)-5-[(4-methylphenyl)methylidene]imidazol-4-one
CID 1034537
(5E)-2-benzoyl-5-[[4-(dimethylamino)phenyl]methylidene]-3-phenyl-1H-1,2,4-triazin-6-one
CID 46935240
(5E)-3-(4-methoxyanilino)-5-[(4-methoxyphenyl)methylidene]-2-phenylimidazol-4-one
CID 1273965
(5Z)-3-[4-benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 5471575
(5E)-3-[[4,6-bis(1,3-benzothiazol-2-ylamino)-1,3,5-triazin-2-yl]amino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one
CID 6516609

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide (CID 6979157) is N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is CODAQRPTOPPOQY-JJIBRWJFSA-N. The full InChI is InChI=1S/C26H25N5O4S/c1-18(32)27-21-11-15-23(16-12-21)36(34,35)29-31-25(20-7-5-4-6-8-20)28-24(26(31)33)17-19-9-13-22(14-10-19)30(2)3/h4-17,29H,1-3H3,(H,27,32)/b24-17+.
What are the key properties of N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 503.58 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4E)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 6979157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).