2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide

C17H26N4O2S — CID 74232170

IUPAC2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide
SMILESCSCCN1CCC(NC(=O)Nc2cccc(CC(N)=O)c2)CC1
InChIInChI=1S/C17H26N4O2S/c1-24-10-9-21-7-5-14(6-8-21)19-17(23)20-15-4-2-3-13(11-15)12-16(18)22/h2-4,11,14H,5-10,12H2,1H3,(H2,18,22)(H2,19,20,23)
InChIKeySKOQPNBBYHJLBV-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.66
Rot. Bonds7

About 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide

2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide (PubChem CID 74232170) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide
PubChem CID74232170
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide
SMILESCSCCN1CCC(NC(=O)Nc2cccc(CC(N)=O)c2)CC1
InChIInChI=1S/C17H26N4O2S/c1-24-10-9-21-7-5-14(6-8-21)19-17(23)20-15-4-2-3-13(11-15)12-16(18)22/h2-4,11,14H,5-10,12H2,1H3,(H2,18,22)(H2,19,20,23)
InChIKeySKOQPNBBYHJLBV-UHFFFAOYSA-N
XLogP1.66
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-[3-(1,2,4-triazol-4-yl)phenyl]urea
CID 118772205
1-[1-(2-aminoethyl)piperidin-4-yl]-3-(3-fluorophenyl)urea
CID 63631483
3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 74234190
1-(1-acetylpiperidin-4-yl)-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 128960283
2-[4-[[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]carbamoylamino]piperidin-1-yl]acetamide
CID 97455360
N-methyl-2-[3-(oxolan-3-ylcarbamoylamino)phenyl]acetamide
CID 118762708
1-(3-benzyl-4-methoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 78832230
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 3848011
1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 74226991
1-(3-ethylphenyl)-3-piperidin-4-ylurea
CID 91143160
2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
CID 86986489
1-[3-[[[amino(thiomorpholin-4-yl)methylidene]amino]methyl]phenyl]-3-cyclopropylurea
CID 75533054

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide?
The IUPAC name of 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide (CID 74232170) is 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide.
What is the SMILES notation for 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide?
The canonical SMILES for 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide is CSCCN1CCC(NC(=O)Nc2cccc(CC(N)=O)c2)CC1.
What is the InChIKey of 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide?
The InChIKey is SKOQPNBBYHJLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-24-10-9-21-7-5-14(6-8-21)19-17(23)20-15-4-2-3-13(11-15)12-16(18)22/h2-4,11,14H,5-10,12H2,1H3,(H2,18,22)(H2,19,20,23).
What are the key properties of 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide?
2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide has a molecular weight of 350.49 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(2-methylsulfanylethyl)piperidin-4-yl]carbamoylamino]phenyl]acetamide is sourced from PubChem (CID 74232170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).