(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide

C28H35N3O2S — CID 10600702

IUPAC(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
SMILESCN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N
InChIInChI=1S/C28H35N3O2S/c1-28(2,29)16-7-12-26(32)31(4)25(27(33)30(3)17-15-24-11-8-18-34-24)20-21-13-14-22-9-5-6-10-23(22)19-21/h5-14,18-19,25H,15-17,20,29H2,1-4H3/b12-7+/t25-/m1/s1
InChIKeyNKTMLMJWHNDQDF-VISBSAOHSA-N
MW477.67 g/mol
LogP4.66
Rot. Bonds10

About (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide

(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide (PubChem CID 10600702) has the molecular formula C28H35N3O2S and a molecular weight of 477.67 g/mol. Its IUPAC name is (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide.

Molecular Properties

Compound Name(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
PubChem CID10600702
Molecular FormulaC28H35N3O2S
Molecular Weight477.67 g/mol
Exact Mass477.24
IUPAC Name(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
SMILESCN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N
InChIInChI=1S/C28H35N3O2S/c1-28(2,29)16-7-12-26(32)31(4)25(27(33)30(3)17-15-24-11-8-18-34-24)20-21-13-14-22-9-5-6-10-23(22)19-21/h5-14,18-19,25H,15-17,20,29H2,1-4H3/b12-7+/t25-/m1/s1
InChIKeyNKTMLMJWHNDQDF-VISBSAOHSA-N
XLogP4.66
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.67
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide with MolForge

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Related Compounds

(R)-N,5-dimethyl-N-(1-(methyl(2-(thiophen-2-yl)ethyl)amino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-5-(methylamino)hex-2-enamide
CID 10345516
(S)-2-amino-N-((S)-1-cyano-2-(naphthalen-2-yl)ethyl)-3-(thiophen-2-yl)propanamide
CID 46883429
(E)-5-amino-N-[(2R)-1-[[(2R)-1-[[(2S)-2-hydroxypropyl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
CID 10507433
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 10649999
(E)-5-amino-N-[(2R)-3-(1-benzothiophen-3-yl)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
CID 10721075
(E)-4-({(R)-2-biphenyl-4-yl-1-[methyl-(2-thiophen-2-yl-ethyl)-carbamoyl]-ethyl}-methyl-carbamoyl)-1,1-dimethyl-but-3-enyl-ammonium
CID 10791616
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide
CID 44459475
2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 3873033
N-[1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 118722748
N-[(2R)-1-[2-(dimethylamino)ethylamino]-1-oxo-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-2-yl]-5-methyl-4-propylthiophene-2-carboxamide
CID 118722762
propionyl-2Nal-2Thi-Lys-NHbenzhydryl
CID 145963241
N-[1-[(4-ethyl-1-piperazinyl)carbonyl]-2-(2-thienyl)vinyl]-3,4-dimethylbenzamide
CID 1802247

Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide?
The IUPAC name of (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide (CID 10600702) is (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide.
What is the SMILES notation for (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide?
The canonical SMILES for (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide is CN(CCc1cccs1)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N.
What is the InChIKey of (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide?
The InChIKey is NKTMLMJWHNDQDF-VISBSAOHSA-N. The full InChI is InChI=1S/C28H35N3O2S/c1-28(2,29)16-7-12-26(32)31(4)25(27(33)30(3)17-15-24-11-8-18-34-24)20-21-13-14-22-9-5-6-10-23(22)19-21/h5-14,18-19,25H,15-17,20,29H2,1-4H3/b12-7+/t25-/m1/s1.
What are the key properties of (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide?
(E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide has a molecular weight of 477.67 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-amino-N,5-dimethyl-N-[(2R)-1-[methyl(2-thiophen-2-ylethyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hex-2-enamide is sourced from PubChem (CID 10600702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).