N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

C27H30N4O3S — CID 11443242

IUPACN-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1cc2nc(NC(=O)C3CCC(CNS(=O)(=O)c4cccc5ccccc45)CC3)[nH]c2cc1C
InChIInChI=1S/C27H30N4O3S/c1-17-14-23-24(15-18(17)2)30-27(29-23)31-26(32)21-12-10-19(11-13-21)16-28-35(33,34)25-9-5-7-20-6-3-4-8-22(20)25/h3-9,14-15,19,21,28H,10-13,16H2,1-2H3,(H2,29,30,31,32)
InChIKeyLGANYVGEFUMZDA-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.06
Rot. Bonds6

About N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide

N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (PubChem CID 11443242) has the molecular formula C27H30N4O3S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
PubChem CID11443242
Molecular FormulaC27H30N4O3S
Molecular Weight490.63 g/mol
Exact Mass490.20
IUPAC NameN-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
SMILESCc1cc2nc(NC(=O)C3CCC(CNS(=O)(=O)c4cccc5ccccc45)CC3)[nH]c2cc1C
InChIInChI=1S/C27H30N4O3S/c1-17-14-23-24(15-18(17)2)30-27(29-23)31-26(32)21-12-10-19(11-13-21)16-28-35(33,34)25-9-5-7-20-6-3-4-8-22(20)25/h3-9,14-15,19,21,28H,10-13,16H2,1-2H3,(H2,29,30,31,32)
InChIKeyLGANYVGEFUMZDA-UHFFFAOYSA-N
XLogP5.06
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 11154686
N-(3,4-dimethylphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880578
N-(2-methoxyphenyl)-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880599
N-[[4-[[(2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 18511315
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 139925377
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-(2,5-dimethylphenyl)cyclohexane-1-carboxamide
CID 20862360
N-(1H-benzimidazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 110493118
N-[[4-[[(4-amino-5-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 54213933
4-[[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methyl]cyclohexane-1-carboxylic acid
CID 53496159
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69028182
[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl] 4-(ethylamino)benzenesulfonate
CID 22146996
N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 139925329

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide (CID 11443242) is N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is Cc1cc2nc(NC(=O)C3CCC(CNS(=O)(=O)c4cccc5ccccc45)CC3)[nH]c2cc1C.
What is the InChIKey of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
The InChIKey is LGANYVGEFUMZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3S/c1-17-14-23-24(15-18(17)2)30-27(29-23)31-26(32)21-12-10-19(11-13-21)16-28-35(33,34)25-9-5-7-20-6-3-4-8-22(20)25/h3-9,14-15,19,21,28H,10-13,16H2,1-2H3,(H2,29,30,31,32).
What are the key properties of N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide?
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 11443242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).