N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide

C26H26N4O4S — CID 55333329

IUPACN-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C26H26N4O4S/c31-25(28-21-13-7-14-22(17-21)35(33,34)30-24-15-8-16-27-24)18-23(19-9-3-1-4-10-19)29-26(32)20-11-5-2-6-12-20/h1-7,9-14,17,23H,8,15-16,18H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyFSVKFJOHEIKMPO-UHFFFAOYSA-N
MW490.59 g/mol
LogP3.66
Rot. Bonds8

About N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide

N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 55333329) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide
PubChem CID55333329
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC NameN-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C26H26N4O4S/c31-25(28-21-13-7-14-22(17-21)35(33,34)30-24-15-8-16-27-24)18-23(19-9-3-1-4-10-19)29-26(32)20-11-5-2-6-12-20/h1-7,9-14,17,23H,8,15-16,18H2,(H,27,30)(H,28,31)(H,29,32)
InChIKeyFSVKFJOHEIKMPO-UHFFFAOYSA-N
XLogP3.66
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55928151
2-(diethylamino)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylacetamide
CID 56538343
(3R)-3-acetamido-3-phenyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide
CID 26539334
(2S)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-phenylpentanamide
CID 9450352
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081
N-methyl-N-[2-oxo-2-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]ethyl]benzamide
CID 55573199
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
2-(phenylcarbamoylamino)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 24583595
N-[3-[3-(cyclopropanecarbonylamino)anilino]-3-oxo-1-phenylpropyl]benzamide
CID 55573209
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7890290
[2-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 4852544
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119676774

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide (CID 55333329) is N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide is O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is FSVKFJOHEIKMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c31-25(28-21-13-7-14-22(17-21)35(33,34)30-24-15-8-16-27-24)18-23(19-9-3-1-4-10-19)29-26(32)20-11-5-2-6-12-20/h1-7,9-14,17,23H,8,15-16,18H2,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide?
N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 490.59 g/mol, XLogP of 3.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)anilino]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 55333329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).