N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide

C15H18N2O2S — CID 43742121

IUPACN-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccsc1CNc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-6-9-20-14(11)10-17-13-4-2-12(3-5-13)15(19)16-7-8-18/h2-6,9,17-18H,7-8,10H2,1H3,(H,16,19)
InChIKeyQQDXSJMXFHWVCK-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.39
Rot. Bonds6

About N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide

N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide (PubChem CID 43742121) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
PubChem CID43742121
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide
SMILESCc1ccsc1CNc1ccc(C(=O)NCCO)cc1
InChIInChI=1S/C15H18N2O2S/c1-11-6-9-20-14(11)10-17-13-4-2-12(3-5-13)15(19)16-7-8-18/h2-6,9,17-18H,7-8,10H2,1H3,(H,16,19)
InChIKeyQQDXSJMXFHWVCK-UHFFFAOYSA-N
XLogP2.39
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43139141
ethyl 4-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43139256
4-benzamido-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 32991351
N-(2-hydroxyethyl)-4-(1,3-thiazol-5-ylmethylamino)benzamide
CID 62760382
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
CID 43735899
4-tert-butyl-N-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]benzamide
CID 32988009
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
4-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 107123995
4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861046
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 79569429

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide (CID 43742121) is N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide is Cc1ccsc1CNc1ccc(C(=O)NCCO)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
The InChIKey is QQDXSJMXFHWVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11-6-9-20-14(11)10-17-13-4-2-12(3-5-13)15(19)16-7-8-18/h2-6,9,17-18H,7-8,10H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide?
N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide has a molecular weight of 290.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[(3-methylthiophen-2-yl)methylamino]benzamide is sourced from PubChem (CID 43742121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).