N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide

C26H31N5O2S — CID 54358304

IUPACN-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide
SMILESCC(C)(CCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1nc(N)c2ccccc2n1
InChIInChI=1S/C26H31N5O2S/c1-26(2,31-25-29-22-15-7-6-14-21(22)24(27)30-25)17-8-3-9-18-28-34(32,33)23-16-10-12-19-11-4-5-13-20(19)23/h4-7,10-16,28H,3,8-9,17-18H2,1-2H3,(H3,27,29,30,31)
InChIKeyUKRJTNBMUDOTFF-UHFFFAOYSA-N
MW477.63 g/mol
LogP5.09
Rot. Bonds10

About N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide

N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide (PubChem CID 54358304) has the molecular formula C26H31N5O2S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide
PubChem CID54358304
Molecular FormulaC26H31N5O2S
Molecular Weight477.63 g/mol
Exact Mass477.22
IUPAC NameN-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide
SMILESCC(C)(CCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1nc(N)c2ccccc2n1
InChIInChI=1S/C26H31N5O2S/c1-26(2,31-25-29-22-15-7-6-14-21(22)24(27)30-25)17-8-3-9-18-28-34(32,33)23-16-10-12-19-11-4-5-13-20(19)23/h4-7,10-16,28H,3,8-9,17-18H2,1-2H3,(H3,27,29,30,31)
InChIKeyUKRJTNBMUDOTFF-UHFFFAOYSA-N
XLogP5.09
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.63
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-[(4-aminoquinazolin-2-yl)amino]hex-3-ynyl]naphthalene-1-sulfonamide
CID 54379705
N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-(3,3,3-trifluoropropyl)naphthalene-1-sulfonamide
CID 115684216
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-[[4-[[(4-aminoquinazolin-2-yl)methylamino]methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 139925377
N-(2-amino-2-methylpropyl)naphthalene-1-sulfonamide
CID 84591300
N-(3-chlorobutyl)naphthalene-1-sulfonamide
CID 114795632
N-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]naphthalene-1-sulfonamide
CID 20713987
N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]naphthalene-1-sulfonamide
CID 75452056

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide (CID 54358304) is N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide is CC(C)(CCCCCNS(=O)(=O)c1cccc2ccccc12)Nc1nc(N)c2ccccc2n1.
What is the InChIKey of N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide?
The InChIKey is UKRJTNBMUDOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O2S/c1-26(2,31-25-29-22-15-7-6-14-21(22)24(27)30-25)17-8-3-9-18-28-34(32,33)23-16-10-12-19-11-4-5-13-20(19)23/h4-7,10-16,28H,3,8-9,17-18H2,1-2H3,(H3,27,29,30,31).
What are the key properties of N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide?
N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide has a molecular weight of 477.63 g/mol, XLogP of 5.09, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4-aminoquinazolin-2-yl)amino]-6-methylheptyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 54358304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).