N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide

C23H29N3O4S — CID 55951606

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-3-13-24-31(28,29)21-9-6-8-18(16-21)23(27)25-20-11-14-26(15-12-20)17-19-7-4-5-10-22(19)30-2/h3-10,16,20,24H,1,11-15,17H2,2H3,(H,25,27)
InChIKeyZKHDUQCNJNXMPQ-UHFFFAOYSA-N
MW443.57 g/mol
LogP2.55
Rot. Bonds9

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide (PubChem CID 55951606) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide
PubChem CID55951606
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide
SMILESC=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C23H29N3O4S/c1-3-13-24-31(28,29)21-9-6-8-18(16-21)23(27)25-20-11-14-26(15-12-20)17-19-7-4-5-10-22(19)30-2/h3-10,16,20,24H,1,11-15,17H2,2H3,(H,25,27)
InChIKeyZKHDUQCNJNXMPQ-UHFFFAOYSA-N
XLogP2.55
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methoxyphenyl)methylsulfamoyl]-N-prop-2-enylbenzamide
CID 94633826
3-(prop-2-enylsulfamoyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 52799360
cis-(1S,3R)-3-[[3-(prop-2-enylsulfamoyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676463
N-piperidin-3-yl-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119424241
N-(cyclopropylmethyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 46541925
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-(1-methylpiperidin-4-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 31098524
methyl 3-(prop-2-enylsulfamoyl)benzoate
CID 60624016
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
N-(2-methoxyethyl)-3-[(2-methoxyphenyl)methylsulfamoyl]benzamide
CID 109063631

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide (CID 55951606) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide is C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(Cc3ccccc3OC)CC2)c1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide?
The InChIKey is ZKHDUQCNJNXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-13-24-31(28,29)21-9-6-8-18(16-21)23(27)25-20-11-14-26(15-12-20)17-19-7-4-5-10-22(19)30-2/h3-10,16,20,24H,1,11-15,17H2,2H3,(H,25,27).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide has a molecular weight of 443.57 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(prop-2-enylsulfamoyl)benzamide is sourced from PubChem (CID 55951606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).