N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide

C24H28ClN3O4S — CID 52909917

IUPACN-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)CC)C2)ccc1Cl
InChIInChI=1S/C24H28ClN3O4S/c1-3-14-28(20-10-6-5-7-11-20)33(31,32)22-16-18(12-13-21(22)25)24(30)27-15-8-9-19(17-27)26-23(29)4-2/h3,5-7,10-13,16,19H,1,4,8-9,14-15,17H2,2H3,(H,26,29)/t19-/m1/s1
InChIKeyVGBHGHISWBSKEJ-LJQANCHMSA-N
MW490.03 g/mol
LogP3.85
Rot. Bonds8

About N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide

N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide (PubChem CID 52909917) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide
PubChem CID52909917
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)CC)C2)ccc1Cl
InChIInChI=1S/C24H28ClN3O4S/c1-3-14-28(20-10-6-5-7-11-20)33(31,32)22-16-18(12-13-21(22)25)24(30)27-15-8-9-19(17-27)26-23(29)4-2/h3,5-7,10-13,16,19H,1,4,8-9,14-15,17H2,2H3,(H,26,29)/t19-/m1/s1
InChIKeyVGBHGHISWBSKEJ-LJQANCHMSA-N
XLogP3.85
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]-N-propylbenzamide
CID 32736718
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CID 42964112
2-chloro-N-prop-2-enyl-5-(pyrrolidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 43002720
5-(benzamidocarbamoyl)-2-chloro-N-phenyl-N-prop-2-enylbenzenesulfonamide
CID 26591753
4-chloro-N-(2-chlorophenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26575051
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 55948031
4-chloro-N-(oxolan-2-ylmethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4782416
2-oxopropyl 4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 42970176
2-chloro-N-phenyl-N-prop-2-enyl-5-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 26533725
4-chloro-N-methyl-N-(2-phenoxyethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 31213510
4-chloro-N-(4-methyl-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 35029142
N-(4-carbamoylphenyl)-4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 26253060

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide (CID 52909917) is N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide is C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)CC)C2)ccc1Cl.
What is the InChIKey of N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide?
The InChIKey is VGBHGHISWBSKEJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-3-14-28(20-10-6-5-7-11-20)33(31,32)22-16-18(12-13-21(22)25)24(30)27-15-8-9-19(17-27)26-23(29)4-2/h3,5-7,10-13,16,19H,1,4,8-9,14-15,17H2,2H3,(H,26,29)/t19-/m1/s1.
What are the key properties of N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide?
N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide has a molecular weight of 490.03 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-chloro-3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 52909917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).