N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide

C21H23N3O2S — CID 10156689

IUPACN'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide
SMILESCN(CCO)Cc1cc(/N=C(\N)c2cccs2)ccc1Oc1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-24(11-12-25)15-16-14-17(23-21(22)20-8-5-13-27-20)9-10-19(16)26-18-6-3-2-4-7-18/h2-10,13-14,25H,11-12,15H2,1H3,(H2,22,23)
InChIKeySDKBBBLZYNBARJ-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.00
Rot. Bonds8

About N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide

N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide (PubChem CID 10156689) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide
PubChem CID10156689
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide
SMILESCN(CCO)Cc1cc(/N=C(\N)c2cccs2)ccc1Oc1ccccc1
InChIInChI=1S/C21H23N3O2S/c1-24(11-12-25)15-16-14-17(23-21(22)20-8-5-13-27-20)9-10-19(16)26-18-6-3-2-4-7-18/h2-10,13-14,25H,11-12,15H2,1H3,(H2,22,23)
InChIKeySDKBBBLZYNBARJ-UHFFFAOYSA-N
XLogP4.00
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-(methylaminomethyl)-4-phenoxyphenyl]thiophene-2-carboximidamide
CID 10131918
N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70141681
N'-[4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenoxy]phenyl]thiophene-2-carboximidamide
CID 11200925
N'-[3-(chloromethyl)-4-propan-2-yloxyphenyl]thiophene-2-carboximidamide;hydrochloride
CID 70131323
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
N'-[4-cyclopentyloxy-3-(methylaminomethyl)phenyl]thiophene-2-carboximidamide;dihydrochloride
CID 70131489
N'-[4-[[cyanomethyl(methyl)amino]methyl]phenyl]thiophene-2-carboximidamide
CID 22225903
2-[2-[7-[[amino(thiophen-2-yl)methylidene]amino]-2,3-dihydro-1,4-benzothiazin-4-yl]ethyl-methylamino]acetic acid
CID 44600245
4-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-N-(4-phenoxyphenyl)butanamide
CID 22646356
3-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]-1,1-diphenylurea
CID 19353824
tert-butyl N-[3-[6-[[amino(thiophen-2-yl)methylidene]amino]-3,4-dihydro-2H-quinolin-1-yl]propyl]-N-(2-hydroxyethyl)carbamate
CID 57341140
2-[6-[[amino(thiophen-2-yl)methylidene]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl-methylcarbamic acid
CID 66704478

Frequently Asked Questions

What is the IUPAC name of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide (CID 10156689) is N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide is CN(CCO)Cc1cc(/N=C(\N)c2cccs2)ccc1Oc1ccccc1.
What is the InChIKey of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide?
The InChIKey is SDKBBBLZYNBARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-24(11-12-25)15-16-14-17(23-21(22)20-8-5-13-27-20)9-10-19(16)26-18-6-3-2-4-7-18/h2-10,13-14,25H,11-12,15H2,1H3,(H2,22,23).
What are the key properties of N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide?
N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide has a molecular weight of 381.50 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[[2-hydroxyethyl(methyl)amino]methyl]-4-phenoxyphenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 10156689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).