N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide

C27H31N5O2S — CID 139925377

IUPACN-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
SMILESNc1nc(CNCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12
InChIInChI=1S/C27H31N5O2S/c28-27-23-9-3-4-10-24(23)31-26(32-27)18-29-16-19-12-14-20(15-13-19)17-30-35(33,34)25-11-5-7-21-6-1-2-8-22(21)25/h1-11,19-20,29-30H,12-18H2,(H2,28,31,32)
InChIKeyCSKUXDWJMYBHOQ-UHFFFAOYSA-N
MW489.65 g/mol
LogP4.24
Rot. Bonds8

About N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide

N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide (PubChem CID 139925377) has the molecular formula C27H31N5O2S and a molecular weight of 489.65 g/mol. Its IUPAC name is N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
PubChem CID139925377
Molecular FormulaC27H31N5O2S
Molecular Weight489.65 g/mol
Exact Mass489.22
IUPAC NameN-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
SMILESNc1nc(CNCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12
InChIInChI=1S/C27H31N5O2S/c28-27-23-9-3-4-10-24(23)31-26(32-27)18-29-16-19-12-14-20(15-13-19)17-30-35(33,34)25-11-5-7-21-6-1-2-8-22(21)25/h1-11,19-20,29-30H,12-18H2,(H2,28,31,32)
InChIKeyCSKUXDWJMYBHOQ-UHFFFAOYSA-N
XLogP4.24
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide with MolForge

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Related Compounds

N-[[4-[[(4-amino-5-methoxyquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 54213933
N-[[4-[(4-anilinoquinazolin-2-yl)amino]cyclohexyl]methyl]naphthalene-1-sulfonamide;hydrochloride
CID 139925329
2-nitroso-N-[[4-[(quinolin-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide
CID 163817075
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide
CID 54336348
N-[[4-[[[4-(cyclohexylmethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide;2,2,2-trifluoroacetic acid
CID 158439299
N-[[4-[[(4-aminoquinazolin-2-yl)amino]methyl]cyclohexyl]methyl]-1-phenylmethanesulfonamide;hydrochloride
CID 67720129
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]naphthalene-1-sulfonamide
CID 121108399
N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 11443242
N-benzylnaphthalene-1-sulfonamide
CID 3844256
N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide
CID 54379705
N-[(2-aminocyclopentyl)methyl]naphthalene-1-sulfonamide
CID 115752311
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 11154686

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide (CID 139925377) is N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide is Nc1nc(CNCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12.
What is the InChIKey of N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is CSKUXDWJMYBHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2S/c28-27-23-9-3-4-10-24(23)31-26(32-27)18-29-16-19-12-14-20(15-13-19)17-30-35(33,34)25-11-5-7-21-6-1-2-8-22(21)25/h1-11,19-20,29-30H,12-18H2,(H2,28,31,32).
What are the key properties of N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide?
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 489.65 g/mol, XLogP of 4.24, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 139925377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).