N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

C18H21ClN4O6S — CID 15989750

IUPACN-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1Cl
InChIInChI=1S/C18H21ClN4O6S/c1-10-15(17(25)22-18(26)20-10)30(27,28)23-7-3-4-11(9-23)16(24)21-12-5-6-14(29-2)13(19)8-12/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,21,24)(H2,20,22,25,26)
InChIKeyJHDJWPPWAWSHGO-UHFFFAOYSA-N
MW456.91 g/mol
LogP1.07
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 15989750) has the molecular formula C18H21ClN4O6S and a molecular weight of 456.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID15989750
Molecular FormulaC18H21ClN4O6S
Molecular Weight456.91 g/mol
Exact Mass456.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1Cl
InChIInChI=1S/C18H21ClN4O6S/c1-10-15(17(25)22-18(26)20-10)30(27,28)23-7-3-4-11(9-23)16(24)21-12-5-6-14(29-2)13(19)8-12/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,21,24)(H2,20,22,25,26)
InChIKeyJHDJWPPWAWSHGO-UHFFFAOYSA-N
XLogP1.07
TPSA141.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.91
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide (CID 15989750) is N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is JHDJWPPWAWSHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O6S/c1-10-15(17(25)22-18(26)20-10)30(27,28)23-7-3-4-11(9-23)16(24)21-12-5-6-14(29-2)13(19)8-12/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,21,24)(H2,20,22,25,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 456.91 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 15989750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).