2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C18H27N3O3S — CID 3178246

IUPAC2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H27N3O3S/c1-15-5-4-10-20(13-15)14-18(22)19-16-6-8-17(9-7-16)25(23,24)21-11-2-3-12-21/h6-9,15H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyWZBDRDUHFTVLMS-UHFFFAOYSA-N
MW365.50 g/mol
LogP2.14
Rot. Bonds5

About 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 3178246) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID3178246
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1
InChIInChI=1S/C18H27N3O3S/c1-15-5-4-10-20(13-15)14-18(22)19-16-6-8-17(9-7-16)25(23,24)21-11-2-3-12-21/h6-9,15H,2-5,10-14H2,1H3,(H,19,22)
InChIKeyWZBDRDUHFTVLMS-UHFFFAOYSA-N
XLogP2.14
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Thaumatin
CID 1151816
N-(4-(pyrrolidine-1-sulfonyl)phenyl)prop-2-enamide
CID 43405474
2-morpholin-4-yl-N-(4-sulfamoylphenyl)acetamide
CID 180598
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
1-[4-(Piperidine-1-sulfonyl)-phenyl]-pyrrolidin-2-one
CID 745878
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]acetamide
CID 720658
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide
CID 137642180
2-{[4-(dimethylamino)benzene](2-methylpropyl)sulfonamido}-N-hydroxyacetamide
CID 10640100

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 3178246) is 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is WZBDRDUHFTVLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-15-5-4-10-20(13-15)14-18(22)19-16-6-8-17(9-7-16)25(23,24)21-11-2-3-12-21/h6-9,15H,2-5,10-14H2,1H3,(H,19,22).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 3178246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).