N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

C24H29N3O3S — CID 42388639

IUPACN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
InChIKeyYRVKJIDCHIEELY-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.34
Rot. Bonds8

About N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide

N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (PubChem CID 42388639) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
PubChem CID42388639
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
SMILESCOc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3
InChIKeyYRVKJIDCHIEELY-UHFFFAOYSA-N
XLogP3.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide (CID 42388639) is N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is COc1ccccc1N1CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
The InChIKey is YRVKJIDCHIEELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-30-24-10-5-4-9-23(24)27-17-15-26(16-18-27)14-6-13-25-31(28,29)22-12-11-20-7-2-3-8-21(20)19-22/h2-5,7-12,19,25H,6,13-18H2,1H3.
What are the key properties of N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide?
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide has a molecular weight of 439.58 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 42388639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).