N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide

C21H22N2O2S — CID 24955902

IUPACN-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc([C@H](C)NCc2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H22N2O2S/c1-15(17-7-4-9-19(13-17)25-2)22-14-16-6-3-8-18(12-16)23-21(24)20-10-5-11-26-20/h3-13,15,22H,14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyNKZDAWCMPLNYAL-HNNXBMFYSA-N
MW366.49 g/mol
LogP4.86
Rot. Bonds7

About N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide

N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide (PubChem CID 24955902) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide
PubChem CID24955902
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide
SMILESCOc1cccc([C@H](C)NCc2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H22N2O2S/c1-15(17-7-4-9-19(13-17)25-2)22-14-16-6-3-8-18(12-16)23-21(24)20-10-5-11-26-20/h3-13,15,22H,14H2,1-2H3,(H,23,24)/t15-/m0/s1
InChIKeyNKZDAWCMPLNYAL-HNNXBMFYSA-N
XLogP4.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(3-methoxyphenyl)propanoylamino]phenyl]thiophene-2-carboxamide
CID 29335398
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 43204723
(1R)-1-(3-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28668693
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518535
N-[1-[(3-methoxyphenyl)methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46682489
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24658002
N-[3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 78839112
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
4-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]benzoic acid
CID 81354482
N-[(2S)-3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724691
N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 35091110

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide (CID 24955902) is N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide is COc1cccc([C@H](C)NCc2cccc(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide?
The InChIKey is NKZDAWCMPLNYAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15(17-7-4-9-19(13-17)25-2)22-14-16-6-3-8-18(12-16)23-21(24)20-10-5-11-26-20/h3-13,15,22H,14H2,1-2H3,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide?
N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[(1S)-1-(3-methoxyphenyl)ethyl]amino]methyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24955902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).