2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C20H26ClN3O3S2 — CID 34242792

IUPAC2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(CN2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H26ClN3O3S2/c1-23(29(26,27)20-10-9-18(21)28-20)15-19(25)22-13-16-5-7-17(8-6-16)14-24-11-3-2-4-12-24/h5-10H,2-4,11-15H2,1H3,(H,22,25)
InChIKeyVHRDCUOZJUAXIP-UHFFFAOYSA-N
MW456.03 g/mol
LogP3.32
Rot. Bonds8

About 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 34242792) has the molecular formula C20H26ClN3O3S2 and a molecular weight of 456.03 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID34242792
Molecular FormulaC20H26ClN3O3S2
Molecular Weight456.03 g/mol
Exact Mass455.11
IUPAC Name2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCN(CC(=O)NCc1ccc(CN2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H26ClN3O3S2/c1-23(29(26,27)20-10-9-18(21)28-20)15-19(25)22-13-16-5-7-17(8-6-16)14-24-11-3-2-4-12-24/h5-10H,2-4,11-15H2,1H3,(H,22,25)
InChIKeyVHRDCUOZJUAXIP-UHFFFAOYSA-N
XLogP3.32
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.03
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 55908559
2-(2-chloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767585
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-prop-2-enylacetamide
CID 9442232
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3,3-dimethylbutyl)acetamide
CID 55656231
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767651
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 56527430
5-chloro-N-methyl-N-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 55376053
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41438126
2-(N-methylsulfonyl-4-propan-2-ylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767085
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 34242792) is 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is CN(CC(=O)NCc1ccc(CN2CCCCC2)cc1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VHRDCUOZJUAXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3S2/c1-23(29(26,27)20-10-9-18(21)28-20)15-19(25)22-13-16-5-7-17(8-6-16)14-24-11-3-2-4-12-24/h5-10H,2-4,11-15H2,1H3,(H,22,25).
What are the key properties of 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 456.03 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 34242792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).