2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide

C18H28N4O2S — CID 86986489

IUPAC2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NC(=O)Nc2cccc(SC)c2)CC1
InChIInChI=1S/C18H28N4O2S/c1-3-9-19-17(23)13-22-10-7-14(8-11-22)20-18(24)21-15-5-4-6-16(12-15)25-2/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyPZKLFZTVSRTEEV-UHFFFAOYSA-N
MW364.52 g/mol
LogP2.52
Rot. Bonds7

About 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide

2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide (PubChem CID 86986489) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
PubChem CID86986489
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(NC(=O)Nc2cccc(SC)c2)CC1
InChIInChI=1S/C18H28N4O2S/c1-3-9-19-17(23)13-22-10-7-14(8-11-22)20-18(24)21-15-5-4-6-16(12-15)25-2/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,23)(H2,20,21,24)
InChIKeyPZKLFZTVSRTEEV-UHFFFAOYSA-N
XLogP2.52
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 49448378
1-cyclododecyl-3-(3-methylsulfanylphenyl)urea
CID 17087586
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
3-(methanesulfonamido)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39135117
1-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(3-methylsulfanylphenyl)urea
CID 55696964
3-fluoro-4-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39145303
2-amino-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 119946633
N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723372
3-nitro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]benzamide
CID 39146873
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
5-fluoro-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 39144539
2-[4-[(3-acetylphenyl)carbamoylamino]piperidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 3856225

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide (CID 86986489) is 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(NC(=O)Nc2cccc(SC)c2)CC1.
What is the InChIKey of 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide?
The InChIKey is PZKLFZTVSRTEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-3-9-19-17(23)13-22-10-7-14(8-11-22)20-18(24)21-15-5-4-6-16(12-15)25-2/h4-6,12,14H,3,7-11,13H2,1-2H3,(H,19,23)(H2,20,21,24).
What are the key properties of 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide?
2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide has a molecular weight of 364.52 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methylsulfanylphenyl)carbamoylamino]piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 86986489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).