N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

C16H20N2O3S — CID 3396878

IUPACN-cyclopropyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NC3CC3
InChIInChI=1S/C16H20N2O3S/c1-12-2-6-15(7-3-12)22(20,21)18-10-8-13(9-11-18)16(19)17-14-4-5-14/h2-3,6-8,14H,4-5,9-11H2,1H3,(H,17,19)
InChIKeyLKWRDVJAGNDJHF-UHFFFAOYSA-N
MW320.40 g/mol
LogP1.70
Rot. Bonds4

About N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide

N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide (PubChem CID 3396878) has the molecular formula C16H20N2O3S and a molecular weight of 320.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide
PubChem CID3396878
Molecular FormulaC16H20N2O3S
Molecular Weight320.40 g/mol
Exact Mass320.12
IUPAC NameN-cyclopropyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NC3CC3
InChIInChI=1S/C16H20N2O3S/c1-12-2-6-15(7-3-12)22(20,21)18-10-8-13(9-11-18)16(19)17-14-4-5-14/h2-3,6-8,14H,4-5,9-11H2,1H3,(H,17,19)
InChIKeyLKWRDVJAGNDJHF-UHFFFAOYSA-N
XLogP1.70
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity552

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
N-cyclopropyl-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 894343
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
N-cyclopropyl-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 2560197
4-cyclohexyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 16294017
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
2-Propyl-pentanoic acid [2-(4-sulfamoyl-phenyl)-ethyl]-amide
CID 11099458
2-ethyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 889524
2-Ethyl-N-(4-sulfamoylbenzyl)butyramide
CID 4656684
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide (CID 3396878) is N-cyclopropyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide is CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=CC2)C(=O)NC3CC3.
What is the InChIKey of N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
The InChIKey is LKWRDVJAGNDJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-2-6-15(7-3-12)22(20,21)18-10-8-13(9-11-18)16(19)17-14-4-5-14/h2-3,6-8,14H,4-5,9-11H2,1H3,(H,17,19).
What are the key properties of N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide?
N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(4-methylphenyl)sulfonyl]-1,2,3,6-tetrahydropyridine-4-carboxamide is sourced from PubChem (CID 3396878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).