5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide

C28H38N4O3S — CID 44598728

IUPAC5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
InChIInChI=1S/C28H38N4O3S/c1-30(2)25-14-9-12-24-23(25)11-10-16-28(24)36(33,34)29-17-7-4-8-18-31-19-21-32(22-20-31)26-13-5-6-15-27(26)35-3/h5-6,9-16,29H,4,7-8,17-22H2,1-3H3
InChIKeyQHWRIZRQECTZRR-UHFFFAOYSA-N
MW510.70 g/mol
LogP4.19
Rot. Bonds11

About 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide (PubChem CID 44598728) has the molecular formula C28H38N4O3S and a molecular weight of 510.70 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide
PubChem CID44598728
Molecular FormulaC28H38N4O3S
Molecular Weight510.70 g/mol
Exact Mass510.27
IUPAC Name5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
InChIInChI=1S/C28H38N4O3S/c1-30(2)25-14-9-12-24-23(25)11-10-16-28(24)36(33,34)29-17-7-4-8-18-31-19-21-32(22-20-31)26-13-5-6-15-27(26)35-3/h5-6,9-16,29H,4,7-8,17-22H2,1-3H3
InChIKeyQHWRIZRQECTZRR-UHFFFAOYSA-N
XLogP4.19
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.70
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide (CID 44598728) is 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide is COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1.
What is the InChIKey of 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide?
The InChIKey is QHWRIZRQECTZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O3S/c1-30(2)25-14-9-12-24-23(25)11-10-16-28(24)36(33,34)29-17-7-4-8-18-31-19-21-32(22-20-31)26-13-5-6-15-27(26)35-3/h5-6,9-16,29H,4,7-8,17-22H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide has a molecular weight of 510.70 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 44598728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).