N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide

C16H23N3O3S — CID 156548701

IUPACN-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(S(=O)(=O)NC)ccc1NC1CCCCC1
InChIInChI=1S/C16H23N3O3S/c1-3-16(20)19-15-11-13(23(21,22)17-2)9-10-14(15)18-12-7-5-4-6-8-12/h3,9-12,17-18H,1,4-8H2,2H3,(H,19,20)
InChIKeyQGKLYLDARUAYDH-UHFFFAOYSA-N
MW337.45 g/mol
LogP2.46
Rot. Bonds6

About N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide

N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 156548701) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide
PubChem CID156548701
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC NameN-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(S(=O)(=O)NC)ccc1NC1CCCCC1
InChIInChI=1S/C16H23N3O3S/c1-3-16(20)19-15-11-13(23(21,22)17-2)9-10-14(15)18-12-7-5-4-6-8-12/h3,9-12,17-18H,1,4-8H2,2H3,(H,19,20)
InChIKeyQGKLYLDARUAYDH-UHFFFAOYSA-N
XLogP2.46
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-4-(cyclohexylamino)benzenesulfonic acid
CID 154273658
4-(cyclohexylamino)-N-methyl-3-nitrobenzenesulfonamide
CID 9186979
4-(cyclohexylamino)-3-(1H-imidazol-5-yl)-N-methylbenzenesulfonamide
CID 148692042
N-[4-(cyclohexylsulfamoyl)phenyl]prop-2-enamide
CID 67121777
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 17458180
3-[[(3E)-2-(cyclohexylmethyl)penta-1,3-dien-3-yl]amino]-N,4-dimethylbenzenesulfonamide
CID 138723578
N-[4-(cyclohexylamino)-3-(1-methylpyrazol-3-yl)phenyl]prop-2-enamide
CID 171429720
5-[[(2S)-butan-2-yl]sulfamoyl]-2-(cyclohexylamino)benzoic acid
CID 99982225
2-chloro-N-cyclopentyl-5-(methylsulfamoyl)benzamide
CID 9214313
N-[2-[[2-(cyclohexylamino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 154402660
N,4-dimethyl-3-(thian-4-ylamino)benzenesulfonamide
CID 43752109
2-(cyclopentylamino)-5-(propylsulfamoyl)benzoic acid
CID 99981604

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide (CID 156548701) is N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(S(=O)(=O)NC)ccc1NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is QGKLYLDARUAYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-3-16(20)19-15-11-13(23(21,22)17-2)9-10-14(15)18-12-7-5-4-6-8-12/h3,9-12,17-18H,1,4-8H2,2H3,(H,19,20).
What are the key properties of N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide?
N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 337.45 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-5-(methylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 156548701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).