N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C19H23BrN2O3S2 — CID 22430555

IUPACN-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)ccc1Br
InChIInChI=1S/C19H23BrN2O3S2/c1-13-11-16(8-9-17(13)20)22-19(23)15-6-4-14(5-7-15)12-21-27(24,25)18-3-2-10-26-18/h2-3,8-11,14-15,21H,4-7,12H2,1H3,(H,22,23)
InChIKeyALFVSBVFYWVRTP-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.54
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 22430555) has the molecular formula C19H23BrN2O3S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID22430555
Molecular FormulaC19H23BrN2O3S2
Molecular Weight471.44 g/mol
Exact Mass470.03
IUPAC NameN-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1cc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)ccc1Br
InChIInChI=1S/C19H23BrN2O3S2/c1-13-11-16(8-9-17(13)20)22-19(23)15-6-4-14(5-7-15)12-21-27(24,25)18-3-2-10-26-18/h2-3,8-11,14-15,21H,4-7,12H2,1H3,(H,22,23)
InChIKeyALFVSBVFYWVRTP-UHFFFAOYSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 15989581
N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430563
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 22430654
N-[(4-hydroxycyclohexyl)methyl]thiophene-2-sulfonamide
CID 114147059
N-[(4-methoxyphenyl)methyl]-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 5322910
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 15996744
N-(4-bromo-3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511161
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880578
N-thiophen-2-ylsulfonylcyclopropanecarboxamide
CID 47232134
N-(4-bromophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810583

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 22430555) is N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is Cc1cc(NC(=O)C2CCC(CNS(=O)(=O)c3cccs3)CC2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is ALFVSBVFYWVRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S2/c1-13-11-16(8-9-17(13)20)22-19(23)15-6-4-14(5-7-15)12-21-27(24,25)18-3-2-10-26-18/h2-3,8-11,14-15,21H,4-7,12H2,1H3,(H,22,23).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 22430555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).