N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide

C21H26N4O4S — CID 24612546

IUPACN-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-3-5-18(6-4-15)23-21(27)24-19-11-13-25(14-12-19)30(28,29)20-9-7-17(8-10-20)22-16(2)26/h3-10,19H,11-14H2,1-2H3,(H,22,26)(H2,23,24,27)
InChIKeyWOYAVRMXRGXLAI-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.93
Rot. Bonds5

About N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 24612546) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID24612546
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O4S/c1-15-3-5-18(6-4-15)23-21(27)24-19-11-13-25(14-12-19)30(28,29)20-9-7-17(8-10-20)22-16(2)26/h3-10,19H,11-14H2,1-2H3,(H,22,26)(H2,23,24,27)
InChIKeyWOYAVRMXRGXLAI-UHFFFAOYSA-N
XLogP2.93
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 53497979
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108559105
N-[4-[4-[(2-methoxyphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24612547
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871900
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 24614398
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108560172
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
5-acetamido-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]thiophene-2-carboxamide
CID 24609619

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide (CID 24612546) is N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is WOYAVRMXRGXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15-3-5-18(6-4-15)23-21(27)24-19-11-13-25(14-12-19)30(28,29)20-9-7-17(8-10-20)22-16(2)26/h3-10,19H,11-14H2,1-2H3,(H,22,26)(H2,23,24,27).
What are the key properties of N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 24612546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).