1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

C21H25N3O4S — CID 171536164

IUPAC1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25N3O4S/c1-16(25)18-6-5-7-19(14-18)23-21(26)22-15-17-8-10-20(11-9-17)29(27,28)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H2,22,23,26)
InChIKeyFHHXGLVGDVDLCD-UHFFFAOYSA-N
MW415.52 g/mol
LogP3.39
Rot. Bonds6

About 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea

1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea (PubChem CID 171536164) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
PubChem CID171536164
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C21H25N3O4S/c1-16(25)18-6-5-7-19(14-18)23-21(26)22-15-17-8-10-20(11-9-17)29(27,28)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H2,22,23,26)
InChIKeyFHHXGLVGDVDLCD-UHFFFAOYSA-N
XLogP3.39
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9244621
N-(3-acetylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2711494
1-(4-chlorophenyl)-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]urea
CID 108782077
2-(3-acetylanilino)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824072
3-(phenylcarbamoylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55737130
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982
3-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 17248733
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
N-(3-ethylphenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7935127
1-butyl-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 134062778

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea (CID 171536164) is 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea is CC(=O)c1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
The InChIKey is FHHXGLVGDVDLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-16(25)18-6-5-7-19(14-18)23-21(26)22-15-17-8-10-20(11-9-17)29(27,28)24-12-3-2-4-13-24/h5-11,14H,2-4,12-13,15H2,1H3,(H2,22,23,26).
What are the key properties of 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea?
1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea has a molecular weight of 415.52 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[(4-piperidin-1-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 171536164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).