N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide

C19H24BrN3O3S2 — CID 15999948

IUPACN-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C19H24BrN3O3S2/c1-22(28(25,26)19-8-7-17(20)27-19)14-18(24)21-16-9-11-23(12-10-16)13-15-5-3-2-4-6-15/h2-8,16H,9-14H2,1H3,(H,21,24)
InChIKeyWSGMAVJFMNUYJP-UHFFFAOYSA-N
MW486.46 g/mol
LogP2.91
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide

N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide (PubChem CID 15999948) has the molecular formula C19H24BrN3O3S2 and a molecular weight of 486.46 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide
PubChem CID15999948
Molecular FormulaC19H24BrN3O3S2
Molecular Weight486.46 g/mol
Exact Mass485.04
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C19H24BrN3O3S2/c1-22(28(25,26)19-8-7-17(20)27-19)14-18(24)21-16-9-11-23(12-10-16)13-15-5-3-2-4-6-15/h2-8,16H,9-14H2,1H3,(H,21,24)
InChIKeyWSGMAVJFMNUYJP-UHFFFAOYSA-N
XLogP2.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide (CID 15999948) is N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide is CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide?
The InChIKey is WSGMAVJFMNUYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S2/c1-22(28(25,26)19-8-7-17(20)27-19)14-18(24)21-16-9-11-23(12-10-16)13-15-5-3-2-4-6-15/h2-8,16H,9-14H2,1H3,(H,21,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide has a molecular weight of 486.46 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(5-bromothiophen-2-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 15999948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).