3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide

C19H24N2O3S — CID 118762060

IUPAC3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCCN
InChIInChI=1S/C19H24N2O3S/c1-13-3-7-16(25-13)12-21(15-5-6-15)19(22)14-4-8-17(23-2)18(11-14)24-10-9-20/h3-4,7-8,11,15H,5-6,9-10,12,20H2,1-2H3
InChIKeyYTZHPPLFLSLUPI-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.21
Rot. Bonds8

About 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide

3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 118762060) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID118762060
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCCN
InChIInChI=1S/C19H24N2O3S/c1-13-3-7-16(25-13)12-21(15-5-6-15)19(22)14-4-8-17(23-2)18(11-14)24-10-9-20/h3-4,7-8,11,15H,5-6,9-10,12,20H2,1-2H3
InChIKeyYTZHPPLFLSLUPI-UHFFFAOYSA-N
XLogP3.21
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
N-cyclopentyl-6-(dimethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 74233755
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70753616
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 29304680
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 33081027
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
3,5-dimethoxy-4-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-propan-2-ylbenzamide
CID 60583905
(2S)-2-amino-N-cyclopropyl-3-hydroxy-N-[(5-methylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 154914680

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 118762060) is 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(C)s2)C2CC2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is YTZHPPLFLSLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-3-7-16(25-13)12-21(15-5-6-15)19(22)14-4-8-17(23-2)18(11-14)24-10-9-20/h3-4,7-8,11,15H,5-6,9-10,12,20H2,1-2H3.
What are the key properties of 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-cyclopropyl-4-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 118762060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).