N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide

C19H21ClN2O3S — CID 4691421

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-3-14(2)22-26(24,25)17-11-9-16(10-12-17)21-19(23)13-8-15-6-4-5-7-18(15)20/h4-14,22H,3H2,1-2H3,(H,21,23)
InChIKeyQORPEULOCGBELK-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.07
Rot. Bonds7

About N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide (PubChem CID 4691421) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
PubChem CID4691421
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H21ClN2O3S/c1-3-14(2)22-26(24,25)17-11-9-16(10-12-17)21-19(23)13-8-15-6-4-5-7-18(15)20/h4-14,22H,3H2,1-2H3,(H,21,23)
InChIKeyQORPEULOCGBELK-UHFFFAOYSA-N
XLogP4.07
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
(E)-3-(2-chlorophenyl)-N-[4-(propylsulfamoyl)phenyl]prop-2-enamide
CID 6233954
N-butan-2-yl-4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 17201182
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(E)-3-(2-chlorophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 1108161
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
3-(2-chlorophenyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 74954387
(E)-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195825
[4-[3-(2-chlorophenyl)prop-2-enoylamino]phenyl]sulfonyl-(5-ethyl-1,3,4-thiadiazol-2-yl)azanide
CID 3645411

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide (CID 4691421) is N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)C=Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
The InChIKey is QORPEULOCGBELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-3-14(2)22-26(24,25)17-11-9-16(10-12-17)21-19(23)13-8-15-6-4-5-7-18(15)20/h4-14,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide has a molecular weight of 392.91 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 4691421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).