N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide

C16H21ClN2O4S — CID 22750987

IUPACN-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NS(=O)(=O)/C(C)=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O4S/c1-12(11-13-3-5-14(17)6-4-13)24(21,22)18-16(20)19-9-7-15(23-2)8-10-19/h3-6,11,15H,7-10H2,1-2H3,(H,18,20)/b12-11+
InChIKeyZWKOREYYELGSSV-VAWYXSNFSA-N
MW372.87 g/mol
LogP2.85
Rot. Bonds4

About N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide

N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide (PubChem CID 22750987) has the molecular formula C16H21ClN2O4S and a molecular weight of 372.87 g/mol. Its IUPAC name is N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide
PubChem CID22750987
Molecular FormulaC16H21ClN2O4S
Molecular Weight372.87 g/mol
Exact Mass372.09
IUPAC NameN-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)NS(=O)(=O)/C(C)=C/c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O4S/c1-12(11-13-3-5-14(17)6-4-13)24(21,22)18-16(20)19-9-7-15(23-2)8-10-19/h3-6,11,15H,7-10H2,1-2H3,(H,18,20)/b12-11+
InChIKeyZWKOREYYELGSSV-VAWYXSNFSA-N
XLogP2.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide (CID 22750987) is N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)NS(=O)(=O)/C(C)=C/c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide?
The InChIKey is ZWKOREYYELGSSV-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21ClN2O4S/c1-12(11-13-3-5-14(17)6-4-13)24(21,22)18-16(20)19-9-7-15(23-2)8-10-19/h3-6,11,15H,7-10H2,1-2H3,(H,18,20)/b12-11+.
What are the key properties of N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide?
N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide has a molecular weight of 372.87 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]sulfonyl-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 22750987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).