N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide

C27H32N4O2S — CID 118724860

IUPACN-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
SMILESO=S(=O)(CCCNCCNc1cccc2ccccc12)NCCNc1cccc2ccccc12
InChIInChI=1S/C27H32N4O2S/c32-34(33,31-20-19-30-27-15-6-11-23-9-2-4-13-25(23)27)21-7-16-28-17-18-29-26-14-5-10-22-8-1-3-12-24(22)26/h1-6,8-15,28-31H,7,16-21H2
InChIKeyPCOTXNMSKROTSK-UHFFFAOYSA-N
MW476.65 g/mol
LogP4.42
Rot. Bonds13

About N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide

N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide (PubChem CID 118724860) has the molecular formula C27H32N4O2S and a molecular weight of 476.65 g/mol. Its IUPAC name is N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
PubChem CID118724860
Molecular FormulaC27H32N4O2S
Molecular Weight476.65 g/mol
Exact Mass476.22
IUPAC NameN-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide
SMILESO=S(=O)(CCCNCCNc1cccc2ccccc12)NCCNc1cccc2ccccc12
InChIInChI=1S/C27H32N4O2S/c32-34(33,31-20-19-30-27-15-6-11-23-9-2-4-13-25(23)27)21-7-16-28-17-18-29-26-14-5-10-22-8-1-3-12-24(22)26/h1-6,8-15,28-31H,7,16-21H2
InChIKeyPCOTXNMSKROTSK-UHFFFAOYSA-N
XLogP4.42
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.65
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(naphthalen-1-ylamino)ethyl]-3-(1-phenylethylamino)propane-1-sulfonamide
CID 118724848
3-morpholin-4-yl-N-[2-(naphthalen-1-ylamino)ethyl]propane-1-sulfonamide
CID 118724844
N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-phenylpiperazin-1-yl)propane-1-sulfonamide
CID 118724842
N,N'-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
CID 69046784
N-[2-(naphthalen-1-ylamino)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propane-1-sulfonamide
CID 118724852
2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
CID 106062043
N-[2-(isoquinolin-1-ylamino)ethyl]-N'-naphthalen-1-ylethane-1,2-diamine
CID 67942505
3-[(6-hydroxynaphthalen-1-yl)amino]propane-1-sulfonic acid
CID 102034605
N-nonylnaphthalen-1-amine
CID 63488249
4-(naphthalen-1-ylamino)butan-1-ol;hydrochloride
CID 139629187
N-icosylnaphthalen-1-amine
CID 53260207

Frequently Asked Questions

What is the IUPAC name of N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide?
The IUPAC name of N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide (CID 118724860) is N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide?
The canonical SMILES for N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide is O=S(=O)(CCCNCCNc1cccc2ccccc12)NCCNc1cccc2ccccc12.
What is the InChIKey of N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide?
The InChIKey is PCOTXNMSKROTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2S/c32-34(33,31-20-19-30-27-15-6-11-23-9-2-4-13-25(23)27)21-7-16-28-17-18-29-26-14-5-10-22-8-1-3-12-24(22)26/h1-6,8-15,28-31H,7,16-21H2.
What are the key properties of N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide?
N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide has a molecular weight of 476.65 g/mol, XLogP of 4.42, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(naphthalen-1-ylamino)ethyl]-3-[2-(naphthalen-1-ylamino)ethylamino]propane-1-sulfonamide is sourced from PubChem (CID 118724860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).