2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide

C18H23N3O3S — CID 60574245

IUPAC2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(C=C1CCCCC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C18H23N3O3S/c22-18(12-14-6-2-1-3-7-14)20-15-8-4-9-16(13-15)25(23,24)21-17-10-5-11-19-17/h4,8-9,12-13H,1-3,5-7,10-11H2,(H,19,21)(H,20,22)
InChIKeyOTHZDNSPUGKUBK-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.99
Rot. Bonds4

About 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide

2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 60574245) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID60574245
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(C=C1CCCCC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
InChIInChI=1S/C18H23N3O3S/c22-18(12-14-6-2-1-3-7-14)20-15-8-4-9-16(13-15)25(23,24)21-17-10-5-11-19-17/h4,8-9,12-13H,1-3,5-7,10-11H2,(H,19,21)(H,20,22)
InChIKeyOTHZDNSPUGKUBK-UHFFFAOYSA-N
XLogP2.99
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-methylbut-2-enamide
CID 30877296
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(methylamino)butanamide
CID 119676774
2-(2,6-dichlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 55338256
(E)-3-(1-benzofuran-2-yl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]prop-2-enamide
CID 33315687
4-ethyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 26856308
(E)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 26902026
(E)-3-(3-chloro-4-methylphenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]prop-2-enamide
CID 26846568
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 4790576
4-(dimethylsulfamoyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 24645853
2-(phenylcarbamoylamino)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 24583595
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 31528464
3,5-difluoro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide
CID 55353390

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide (CID 60574245) is 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide is O=C(C=C1CCCCC1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1.
What is the InChIKey of 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is OTHZDNSPUGKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-18(12-14-6-2-1-3-7-14)20-15-8-4-9-16(13-15)25(23,24)21-17-10-5-11-19-17/h4,8-9,12-13H,1-3,5-7,10-11H2,(H,19,21)(H,20,22).
What are the key properties of 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide?
2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylidene-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 60574245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).