N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide

C21H33N5O3S — CID 57238464

IUPACN-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide
SMILESCCNc1ccc(N(CCO)N(CCN(CC)c2ccc(N)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H33N5O3S/c1-4-23-19-8-12-21(13-9-19)25(16-17-27)26(30(3,28)29)15-14-24(5-2)20-10-6-18(22)7-11-20/h6-13,23,27H,4-5,14-17,22H2,1-3H3
InChIKeyCYDBHBCEZDEOAG-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.20
Rot. Bonds12

About N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide

N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide (PubChem CID 57238464) has the molecular formula C21H33N5O3S and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide.

Molecular Properties

Compound NameN-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide
PubChem CID57238464
Molecular FormulaC21H33N5O3S
Molecular Weight435.59 g/mol
Exact Mass435.23
IUPAC NameN-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide
SMILESCCNc1ccc(N(CCO)N(CCN(CC)c2ccc(N)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C21H33N5O3S/c1-4-23-19-8-12-21(13-9-19)25(16-17-27)26(30(3,28)29)15-14-24(5-2)20-10-6-18(22)7-11-20/h6-13,23,27H,4-5,14-17,22H2,1-3H3
InChIKeyCYDBHBCEZDEOAG-UHFFFAOYSA-N
XLogP2.20
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
CID 70452511
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
3-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-2,2-dimethylpropanamide
CID 115426342
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
tert-butyl N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]carbamate
CID 65143042
N-ethyl-4-[tris[4-(diethylamino)phenyl]methyl]aniline
CID 59357333
(2S)-2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 107144336
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
2-amino-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]hexanamide
CID 60945538
3-(ethylamino)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 62834910
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-hydroxybutanamide
CID 79204146

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide?
The IUPAC name of N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide (CID 57238464) is N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide.
What is the SMILES notation for N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide?
The canonical SMILES for N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide is CCNc1ccc(N(CCO)N(CCN(CC)c2ccc(N)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide?
The InChIKey is CYDBHBCEZDEOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3S/c1-4-23-19-8-12-21(13-9-19)25(16-17-27)26(30(3,28)29)15-14-24(5-2)20-10-6-18(22)7-11-20/h6-13,23,27H,4-5,14-17,22H2,1-3H3.
What are the key properties of N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide?
N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide has a molecular weight of 435.59 g/mol, XLogP of 2.20, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide is sourced from PubChem (CID 57238464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).