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

C25H32N4O3S — CID 44598726

IUPAC5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
InChIInChI=1S/C25H32N4O3S/c1-27(2)22-11-6-9-21-20(22)8-7-13-25(21)33(30,31)26-14-15-28-16-18-29(19-17-28)23-10-4-5-12-24(23)32-3/h4-13,26H,14-19H2,1-3H3
InChIKeyAQKSXUFYPJNQLY-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.01
Rot. Bonds8

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

5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide (PubChem CID 44598726) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide
PubChem CID44598726
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide
SMILESCOc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1
InChIInChI=1S/C25H32N4O3S/c1-27(2)22-11-6-9-21-20(22)8-7-13-25(21)33(30,31)26-14-15-28-16-18-29(19-17-28)23-10-4-5-12-24(23)32-3/h4-13,26H,14-19H2,1-3H3
InChIKeyAQKSXUFYPJNQLY-UHFFFAOYSA-N
XLogP3.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide (CID 44598726) is 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide is COc1ccccc1N1CCN(CCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1.
What is the InChIKey of 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide?
The InChIKey is AQKSXUFYPJNQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-27(2)22-11-6-9-21-20(22)8-7-13-25(21)33(30,31)26-14-15-28-16-18-29(19-17-28)23-10-4-5-12-24(23)32-3/h4-13,26H,14-19H2,1-3H3.
What are the key properties of 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide has a molecular weight of 468.62 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 44598726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).