N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

C25H25N3O3S2 — CID 53307987

IUPACN-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc2ccccc12)c1ccc(Oc2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C25H25N3O3S2/c29-33(30,27-18-20-7-3-6-19-5-1-2-10-23(19)20)25-12-11-24(32-25)31-22-9-4-8-21(17-22)28-15-13-26-14-16-28/h1-12,17,26-27H,13-16,18H2
InChIKeyNBNWXLVYWVDIIW-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.58
Rot. Bonds7

About N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide

N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (PubChem CID 53307987) has the molecular formula C25H25N3O3S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
PubChem CID53307987
Molecular FormulaC25H25N3O3S2
Molecular Weight479.63 g/mol
Exact Mass479.13
IUPAC NameN-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1cccc2ccccc12)c1ccc(Oc2cccc(N3CCNCC3)c2)s1
InChIInChI=1S/C25H25N3O3S2/c29-33(30,27-18-20-7-3-6-19-5-1-2-10-23(19)20)25-12-11-24(32-25)31-22-9-4-8-21(17-22)28-15-13-26-14-16-28/h1-12,17,26-27H,13-16,18H2
InChIKeyNBNWXLVYWVDIIW-UHFFFAOYSA-N
XLogP4.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide (CID 53307987) is N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is O=S(=O)(NCc1cccc2ccccc12)c1ccc(Oc2cccc(N3CCNCC3)c2)s1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
The InChIKey is NBNWXLVYWVDIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S2/c29-33(30,27-18-20-7-3-6-19-5-1-2-10-23(19)20)25-12-11-24(32-25)31-22-9-4-8-21(17-22)28-15-13-26-14-16-28/h1-12,17,26-27H,13-16,18H2.
What are the key properties of N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide?
N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide has a molecular weight of 479.63 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide is sourced from PubChem (CID 53307987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).