2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

C17H27N3O3S — CID 50968872

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC(C)N1CCC(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-13(2)20-9-7-14(8-10-20)11-17(21)19-12-15-3-5-16(6-4-15)24(18,22)23/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyNLJTYYXAUNRCSP-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.46
Rot. Bonds6

About 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide

2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 50968872) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID50968872
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESCC(C)N1CCC(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C17H27N3O3S/c1-13(2)20-9-7-14(8-10-20)11-17(21)19-12-15-3-5-16(6-4-15)24(18,22)23/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)(H2,18,22,23)
InChIKeyNLJTYYXAUNRCSP-UHFFFAOYSA-N
XLogP1.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507
2-(butan-2-ylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 60652957
3-methyl-N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 11779448
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
2-[(2S)-2,4-dimethylpiperazin-1-yl]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 97094405
2-(prop-2-ynylamino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 78909532
4-[[(1-methylpiperidin-3-yl)methylamino]methyl]benzenesulfonamide
CID 62655230
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110754744
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
N-[(4-ethoxyphenyl)methyl]-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 50767947
2-piperidin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673755
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 50968872) is 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is CC(C)N1CCC(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is NLJTYYXAUNRCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-13(2)20-9-7-14(8-10-20)11-17(21)19-12-15-3-5-16(6-4-15)24(18,22)23/h3-6,13-14H,7-12H2,1-2H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 353.49 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 50968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).