(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide

C21H28N2O3S — CID 8924044

IUPAC(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C21H28N2O3S/c1-4-23(15(2)21(24)22-17-8-9-17)13-16-7-10-19(20(12-16)25-3)26-14-18-6-5-11-27-18/h5-7,10-12,15,17H,4,8-9,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyWNQMEOKKXYNLGJ-HNNXBMFYSA-N
MW388.53 g/mol
LogP3.82
Rot. Bonds10

About (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide

(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide (PubChem CID 8924044) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
PubChem CID8924044
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)C(=O)NC1CC1
InChIInChI=1S/C21H28N2O3S/c1-4-23(15(2)21(24)22-17-8-9-17)13-16-7-10-19(20(12-16)25-3)26-14-18-6-5-11-27-18/h5-7,10-12,15,17H,4,8-9,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1
InChIKeyWNQMEOKKXYNLGJ-HNNXBMFYSA-N
XLogP3.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide with MolForge

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Related Compounds

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924053
ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium
CID 8924090
ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]azanium
CID 8924086
N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119690288
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
CID 8744955
(2R)-N-cyclopropyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propanamide
CID 8681787
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
2-[ethyl(thiophen-2-ylmethyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 86909948

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide (CID 8924044) is (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)[C@@H](C)C(=O)NC1CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide?
The InChIKey is WNQMEOKKXYNLGJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-23(15(2)21(24)22-17-8-9-17)13-16-7-10-19(20(12-16)25-3)26-14-18-6-5-11-27-18/h5-7,10-12,15,17H,4,8-9,13-14H2,1-3H3,(H,22,24)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide?
(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide has a molecular weight of 388.53 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide is sourced from PubChem (CID 8924044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).