2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide

C22H24N2O2S — CID 138738128

IUPAC2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide
SMILESCNCCC(Oc1ccccc1C(=O)NCc1cccs1)c1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-23-14-13-20(17-8-3-2-4-9-17)26-21-12-6-5-11-19(21)22(25)24-16-18-10-7-15-27-18/h2-12,15,20,23H,13-14,16H2,1H3,(H,24,25)
InChIKeyKRZQLAONRSUEKC-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.41
Rot. Bonds9

About 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide

2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 138738128) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID138738128
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide
SMILESCNCCC(Oc1ccccc1C(=O)NCc1cccs1)c1ccccc1
InChIInChI=1S/C22H24N2O2S/c1-23-14-13-20(17-8-3-2-4-9-17)26-21-12-6-5-11-19(21)22(25)24-16-18-10-7-15-27-18/h2-12,15,20,23H,13-14,16H2,1H3,(H,24,25)
InChIKeyKRZQLAONRSUEKC-UHFFFAOYSA-N
XLogP4.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;oxalic acid
CID 11609891
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
acetic acid;(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 67283492
(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;oxalic acid
CID 11639633
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199
hydron;3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine;chloride
CID 74765078
1,1-dimethyl-3-[2-[3-(methylamino)-1-phenylpropoxy]phenyl]urea
CID 138738122
3-(4-fluorophenoxy)-N-methyl-3-phenylpropan-1-amine;oxalic acid
CID 12807456
(3R)-3-(1-benzofuran-4-yloxy)-N-methyl-3-phenylpropan-1-amine
CID 58630691

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide (CID 138738128) is 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide is CNCCC(Oc1ccccc1C(=O)NCc1cccs1)c1ccccc1.
What is the InChIKey of 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is KRZQLAONRSUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-23-14-13-20(17-8-3-2-4-9-17)26-21-12-6-5-11-19(21)22(25)24-16-18-10-7-15-27-18/h2-12,15,20,23H,13-14,16H2,1H3,(H,24,25).
What are the key properties of 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide?
2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 380.51 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)-1-phenylpropoxy]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 138738128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).