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

C19H23BrN2O3S2 — CID 22430654

IUPAC4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C19H23BrN2O3S2/c1-13-2-8-16(9-3-13)22-19(23)15-6-4-14(5-7-15)12-21-27(24,25)18-11-10-17(20)26-18/h2-3,8-11,14-15,21H,4-7,12H2,1H3,(H,22,23)
InChIKeyNULLYGMTUWPITP-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.54
Rot. Bonds6

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

4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide (PubChem CID 22430654) has the molecular formula C19H23BrN2O3S2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
PubChem CID22430654
Molecular FormulaC19H23BrN2O3S2
Molecular Weight471.44 g/mol
Exact Mass470.03
IUPAC Name4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CCC(CNS(=O)(=O)c3ccc(Br)s3)CC2)cc1
InChIInChI=1S/C19H23BrN2O3S2/c1-13-2-8-16(9-3-13)22-19(23)15-6-4-14(5-7-15)12-21-27(24,25)18-11-10-17(20)26-18/h2-3,8-11,14-15,21H,4-7,12H2,1H3,(H,22,23)
InChIKeyNULLYGMTUWPITP-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

4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 15996744
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 15995265
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 5322924
N-(4-bromo-3-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430555
N-(4-acetylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 15989581
5-bromo-N-(thiolan-3-ylmethyl)thiophene-2-sulfonamide
CID 107297938
N-[4-(cyclopropylmethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 119287751
N-(4-bromophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 3640172
4-(benzenesulfonamidomethyl)-N-(4-chlorophenyl)cyclohexane-1-carboxamide
CID 11327244
5-bromo-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97052749
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-(2-methoxy-5-methylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 22430563

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide (CID 22430654) is 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=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)cyclohexane-1-carboxamide?
The InChIKey is NULLYGMTUWPITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3S2/c1-13-2-8-16(9-3-13)22-19(23)15-6-4-14(5-7-15)12-21-27(24,25)18-11-10-17(20)26-18/h2-3,8-11,14-15,21H,4-7,12H2,1H3,(H,22,23).
What are the key properties of 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide?
4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)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 4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-(4-methylphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 22430654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).