N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide

C29H35NO3S — CID 11976598

IUPACN-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC1(Cc2ccc(CCOC3CCCC3)cc2)CCC1)c1cccc2ccccc12
InChIInChI=1S/C29H35NO3S/c31-34(32,28-12-5-8-25-7-1-4-11-27(25)28)30-22-29(18-6-19-29)21-24-15-13-23(14-16-24)17-20-33-26-9-2-3-10-26/h1,4-5,7-8,11-16,26,30H,2-3,6,9-10,17-22H2
InChIKeyWBZNIGYDMAQYQG-UHFFFAOYSA-N
MW477.67 g/mol
LogP6.03
Rot. Bonds10

About N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide

N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide (PubChem CID 11976598) has the molecular formula C29H35NO3S and a molecular weight of 477.67 g/mol. Its IUPAC name is N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide
PubChem CID11976598
Molecular FormulaC29H35NO3S
Molecular Weight477.67 g/mol
Exact Mass477.23
IUPAC NameN-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide
SMILESO=S(=O)(NCC1(Cc2ccc(CCOC3CCCC3)cc2)CCC1)c1cccc2ccccc12
InChIInChI=1S/C29H35NO3S/c31-34(32,28-12-5-8-25-7-1-4-11-27(25)28)30-22-29(18-6-19-29)21-24-15-13-23(14-16-24)17-20-33-26-9-2-3-10-26/h1,4-5,7-8,11-16,26,30H,2-3,6,9-10,17-22H2
InChIKeyWBZNIGYDMAQYQG-UHFFFAOYSA-N
XLogP6.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.67
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide (CID 11976598) is N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide is O=S(=O)(NCC1(Cc2ccc(CCOC3CCCC3)cc2)CCC1)c1cccc2ccccc12.
What is the InChIKey of N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is WBZNIGYDMAQYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3S/c31-34(32,28-12-5-8-25-7-1-4-11-27(25)28)30-22-29(18-6-19-29)21-24-15-13-23(14-16-24)17-20-33-26-9-2-3-10-26/h1,4-5,7-8,11-16,26,30H,2-3,6,9-10,17-22H2.
What are the key properties of N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide?
N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 477.67 g/mol, XLogP of 6.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(2-cyclopentyloxyethyl)phenyl]methyl]cyclobutyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11976598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).