1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C17H22N4O3S2 — CID 78871900

IUPAC1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C17H22N4O3S2/c1-12-3-5-15(6-4-12)26(23,24)21-9-7-14(8-10-21)19-16(22)20-17-18-13(2)11-25-17/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyJMDXXEAUONMBDD-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.73
Rot. Bonds4

About 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 78871900) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID78871900
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC Name1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3nc(C)cs3)CC2)cc1
InChIInChI=1S/C17H22N4O3S2/c1-12-3-5-15(6-4-12)26(23,24)21-9-7-14(8-10-21)19-16(22)20-17-18-13(2)11-25-17/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyJMDXXEAUONMBDD-UHFFFAOYSA-N
XLogP2.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612546
1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-(4-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7959042
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831714
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831778
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]azocane-1-carboxamide
CID 78833850
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831727
5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
CID 24609619
3,4,5,6-tetrachloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-2-carboxamide
CID 24652720
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 78880674

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 78871900) is 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3nc(C)cs3)CC2)cc1.
What is the InChIKey of 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is JMDXXEAUONMBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-12-3-5-15(6-4-12)26(23,24)21-9-7-14(8-10-21)19-16(22)20-17-18-13(2)11-25-17/h3-6,11,14H,7-10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 394.52 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 78871900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).