N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide

C23H26N2O2S — CID 71214568

IUPACN-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
SMILESCc1ccsc1CN(CCCN)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-18-12-15-28-22(18)16-25(14-7-13-24)23(26)20-10-5-6-11-21(20)27-17-19-8-3-2-4-9-19/h2-6,8-12,15H,7,13-14,16-17,24H2,1H3
InChIKeySEZAWLKLEZUCLS-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.63
Rot. Bonds9

About N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide

N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide (PubChem CID 71214568) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
PubChem CID71214568
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide
SMILESCc1ccsc1CN(CCCN)C(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-18-12-15-28-22(18)16-25(14-7-13-24)23(26)20-10-5-6-11-21(20)27-17-19-8-3-2-4-9-19/h2-6,8-12,15H,7,13-14,16-17,24H2,1H3
InChIKeySEZAWLKLEZUCLS-UHFFFAOYSA-N
XLogP4.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
methyl 4-[[3-aminopropyl-(2-phenylmethoxybenzoyl)amino]methyl]benzoate
CID 143404942
N-(3-aminopropyl)-N-[(3-chloro-4-fluorophenyl)methyl]-2-phenylmethoxybenzamide
CID 71214624
N-(3-aminopropyl)-2-phenylmethoxy-N-[(2,3,6-trichlorophenyl)methyl]benzamide
CID 71214509
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650
2-(2-amino-2-oxoethoxy)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 134031406
N-(3-aminopropyl)-N-[[2-[(4-chlorophenyl)methylsulfanyl]phenyl]methyl]-2-phenylmethoxybenzamide
CID 71214627
N'-benzyl-N'-[(3-methylthiophen-2-yl)methyl]propane-1,3-diamine
CID 107364753
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]naphthalene-1-carboxamide
CID 42703297
N-(3-aminopropyl)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(2-phenylethyl)benzamide
CID 71214522
2-fluoro-N-[2-[(4-fluorophenyl)methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4098671
2-[methyl-[(3-methylthiophen-2-yl)methyl]carbamoyl]benzoic acid
CID 60953427

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide (CID 71214568) is N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide is Cc1ccsc1CN(CCCN)C(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide?
The InChIKey is SEZAWLKLEZUCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-18-12-15-28-22(18)16-25(14-7-13-24)23(26)20-10-5-6-11-21(20)27-17-19-8-3-2-4-9-19/h2-6,8-12,15H,7,13-14,16-17,24H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide?
N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide has a molecular weight of 394.54 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(3-methylthiophen-2-yl)methyl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 71214568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).