3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide

C24H31N3O4S — CID 24611704

IUPAC3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O4S/c1-18-10-12-20(13-11-18)22(26-19(2)28)16-24(29)25-17-21-8-4-5-9-23(21)32(30,31)27-14-6-3-7-15-27/h4-5,8-13,22H,3,6-7,14-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVVNCKGIUZXMVQY-UHFFFAOYSA-N
MW457.60 g/mol
LogP3.05
Rot. Bonds8

About 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide

3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide (PubChem CID 24611704) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide
PubChem CID24611704
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESCC(=O)NC(CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C24H31N3O4S/c1-18-10-12-20(13-11-18)22(26-19(2)28)16-24(29)25-17-21-8-4-5-9-23(21)32(30,31)27-14-6-3-7-15-27/h4-5,8-13,22H,3,6-7,14-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyVVNCKGIUZXMVQY-UHFFFAOYSA-N
XLogP3.05
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-methylphenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25487466
3-acetamido-N-[(2-cyclopentyloxyphenyl)methyl]-3-(4-methylphenyl)propanamide
CID 55810237
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25491593
N-[3-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24679879
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564601
1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112829659
(3R)-3-acetamido-3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 2094762
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123792
3-amino-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 119888625
3-acetamido-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(4-methoxyphenyl)propanamide
CID 43018873

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide (CID 24611704) is 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide is CC(=O)NC(CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is VVNCKGIUZXMVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-18-10-12-20(13-11-18)22(26-19(2)28)16-24(29)25-17-21-8-4-5-9-23(21)32(30,31)27-14-6-3-7-15-27/h4-5,8-13,22H,3,6-7,14-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide?
3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 457.60 g/mol, XLogP of 3.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 24611704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).