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

C17H20BrN3O3S2 — CID 55475048

IUPACN-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O3S2/c18-13-3-5-14(6-4-13)19-16(22)12-21-9-7-15(8-10-21)20-26(23,24)17-2-1-11-25-17/h1-6,11,15,20H,7-10,12H2,(H,19,22)
InChIKeyAXACYDQUPHFBQV-UHFFFAOYSA-N
MW458.40 g/mol
LogP2.89
Rot. Bonds6

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

N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide (PubChem CID 55475048) has the molecular formula C17H20BrN3O3S2 and a molecular weight of 458.40 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
PubChem CID55475048
Molecular FormulaC17H20BrN3O3S2
Molecular Weight458.40 g/mol
Exact Mass457.01
IUPAC NameN-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN3O3S2/c18-13-3-5-14(6-4-13)19-16(22)12-21-9-7-15(8-10-21)20-26(23,24)17-2-1-11-25-17/h1-6,11,15,20H,7-10,12H2,(H,19,22)
InChIKeyAXACYDQUPHFBQV-UHFFFAOYSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55478487
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 60506544
N-cyclopropyl-N-ethyl-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55648993
N-[1-(4-ethylphenyl)ethyl]-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide
CID 55474200
N-[1-(5-bromo-2-hydroxybenzoyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 17484080
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583
N-[1-(piperidin-4-ylmethyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 119930328
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
2-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 37218704
N-(4-bromophenyl)-3-[4-[(4-fluorophenyl)sulfonylamino]piperidin-1-yl]propanamide
CID 60508186
ethyl 4-[4-(thiophen-2-ylsulfonylamino)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 33170749
N-(4-fluorophenyl)-2-(4-thiophen-2-ylsulfonyl-1,4-diazepan-1-yl)acetamide
CID 3720770

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide (CID 55475048) is N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide is O=C(CN1CCC(NS(=O)(=O)c2cccs2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
The InChIKey is AXACYDQUPHFBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3S2/c18-13-3-5-14(6-4-13)19-16(22)12-21-9-7-15(8-10-21)20-26(23,24)17-2-1-11-25-17/h1-6,11,15,20H,7-10,12H2,(H,19,22).
What are the key properties of N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide has a molecular weight of 458.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 55475048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).