N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide

C23H32N4O3S2 — CID 55478487

IUPACN-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C23H32N4O3S2/c28-22(24-19-7-9-21(10-8-19)27-13-3-1-2-4-14-27)18-26-15-11-20(12-16-26)25-32(29,30)23-6-5-17-31-23/h5-10,17,20,25H,1-4,11-16,18H2,(H,24,28)
InChIKeyGBEXLFWXIYPACJ-UHFFFAOYSA-N
MW476.67 g/mol
LogP3.51
Rot. Bonds7

About N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide

N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide (PubChem CID 55478487) has the molecular formula C23H32N4O3S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
PubChem CID55478487
Molecular FormulaC23H32N4O3S2
Molecular Weight476.67 g/mol
Exact Mass476.19
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C23H32N4O3S2/c28-22(24-19-7-9-21(10-8-19)27-13-3-1-2-4-14-27)18-26-15-11-20(12-16-26)25-32(29,30)23-6-5-17-31-23/h5-10,17,20,25H,1-4,11-16,18H2,(H,24,28)
InChIKeyGBEXLFWXIYPACJ-UHFFFAOYSA-N
XLogP3.51
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.67
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55475048
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
N-[1-(4-ethylphenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55474200
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51476386
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 27175232
N-[4-(azepan-1-yl)phenyl]-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9327985
N-(4-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 3720770
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 33348692

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide (CID 55478487) is N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide is O=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
The InChIKey is GBEXLFWXIYPACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S2/c28-22(24-19-7-9-21(10-8-19)27-13-3-1-2-4-14-27)18-26-15-11-20(12-16-26)25-32(29,30)23-6-5-17-31-23/h5-10,17,20,25H,1-4,11-16,18H2,(H,24,28).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide has a molecular weight of 476.67 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 55478487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).