N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide

C19H24N2O3S2 — CID 1428510

IUPACN-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h4,6,8-12,14,18,20H,2-3,5,7,13H2,1H3,(H,21,22)/t14-,18+/m1/s1
InChIKeyGYYKMHUBSXRQNI-KDOFPFPSSA-N
MW392.55 g/mol
LogP3.54
Rot. Bonds6

About N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 1428510) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID1428510
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h4,6,8-12,14,18,20H,2-3,5,7,13H2,1H3,(H,21,22)/t14-,18+/m1/s1
InChIKeyGYYKMHUBSXRQNI-KDOFPFPSSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 1428507
N-cyclohexyl-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 3228850
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 15997384
4-(2-methoxyethylsulfamoyl)-N-(2-methylcyclohexyl)benzamide
CID 17464043
N-[(1R,2R)-2-methylcyclohexyl]-4-(phenylsulfamoyl)benzamide
CID 7478902
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404478
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
N-[2-(aminomethyl)cyclopentyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119600604
N-(2-methylcyclohexyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 42992273
N-[(1R,2S)-2-methylcyclohexyl]-4-[(pyridine-4-carbonylamino)sulfamoyl]benzamide
CID 7371003

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 1428510) is N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is GYYKMHUBSXRQNI-KDOFPFPSSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-14-5-2-3-7-18(14)21-19(22)15-8-10-17(11-9-15)26(23,24)20-13-16-6-4-12-25-16/h4,6,8-12,14,18,20H,2-3,5,7,13H2,1H3,(H,21,22)/t14-,18+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 392.55 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 1428510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).