4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide

C20H25BrN2O3S2 — CID 15995265

IUPAC4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C20H25BrN2O3S2/c1-14-2-4-15(5-3-14)12-22-20(24)17-8-6-16(7-9-17)13-23-28(25,26)19-11-10-18(21)27-19/h2-5,10-11,16-17,23H,6-9,12-13H2,1H3,(H,22,24)
InChIKeyHJJKPNZWOONCJJ-UHFFFAOYSA-N
MW485.47 g/mol
LogP4.22
Rot. Bonds7

About 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide

4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 15995265) has the molecular formula C20H25BrN2O3S2 and a molecular weight of 485.47 g/mol. Its IUPAC name is 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID15995265
Molecular FormulaC20H25BrN2O3S2
Molecular Weight485.47 g/mol
Exact Mass484.05
IUPAC Name4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C20H25BrN2O3S2/c1-14-2-4-15(5-3-14)12-22-20(24)17-8-6-16(7-9-17)13-23-28(25,26)19-11-10-18(21)27-19/h2-5,10-11,16-17,23H,6-9,12-13H2,1H3,(H,22,24)
InChIKeyHJJKPNZWOONCJJ-UHFFFAOYSA-N
XLogP4.22
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 22430654
N-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 4156842
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 15996744
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166322196
4-(benzenesulfonamidomethyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 5323358
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 5322924
4-(benzenesulfonamidomethyl)-N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 68813828
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
4-ethyl-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 123258530

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 15995265) is 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide is Cc1ccc(CNC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1.
What is the InChIKey of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is HJJKPNZWOONCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S2/c1-14-2-4-15(5-3-14)12-22-20(24)17-8-6-16(7-9-17)13-23-28(25,26)19-11-10-18(21)27-19/h2-5,10-11,16-17,23H,6-9,12-13H2,1H3,(H,22,24).
What are the key properties of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide?
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 485.47 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 15995265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).