2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide

C22H25N3O2S — CID 140992725

IUPAC2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide
SMILESCNC(=O)[C@@H](Cc1cccs1)NC(=O)C(Cc1ccc2ccccc2c1)NC
InChIInChI=1S/C22H25N3O2S/c1-23-19(13-15-9-10-16-6-3-4-7-17(16)12-15)22(27)25-20(21(26)24-2)14-18-8-5-11-28-18/h3-12,19-20,23H,13-14H2,1-2H3,(H,24,26)(H,25,27)/t19?,20-/m1/s1
InChIKeyBUERFVHQQVCLQG-GFOWMXPYSA-N
MW395.53 g/mol
LogP2.51
Rot. Bonds8

About 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide

2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide (PubChem CID 140992725) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide
PubChem CID140992725
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide
SMILESCNC(=O)[C@@H](Cc1cccs1)NC(=O)C(Cc1ccc2ccccc2c1)NC
InChIInChI=1S/C22H25N3O2S/c1-23-19(13-15-9-10-16-6-3-4-7-17(16)12-15)22(27)25-20(21(26)24-2)14-18-8-5-11-28-18/h3-12,19-20,23H,13-14H2,1-2H3,(H,24,26)(H,25,27)/t19?,20-/m1/s1
InChIKeyBUERFVHQQVCLQG-GFOWMXPYSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-2-(4-aminobutyl)-N-benzhydryl-5-[[(2S)-3-naphthalen-2-yl-2-(propanoylamino)propanoyl]amino]-4-oxo-6-thiophen-2-ylhexanamide
CID 159347972
N,2-dihydroxy-N'-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(naphthalen-2-ylmethyl)butanediamide
CID 74999760
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
tert-butyl N-[(2S)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]carbamate
CID 138483385
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
(2R)-N'-[(2R)-1-[[(2S)-1-amino-3-[4-(4-methoxyphenyl)phenyl]-1-oxopropan-2-yl]amino]-1-oxo-3-thiophen-2-ylpropan-2-yl]-2-hydroxybutanediamide
CID 143947619
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
methyl (2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(4-anilino-4-oxobutanoyl)amino]-3-thiophen-2-ylpropanoyl]amino]-3-(4-phenylphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 71141201
N-[4-[(2S)-2-[[(2R)-2-[[(2S)-3-[4-(4-chlorophenyl)phenyl]-2-(methylamino)propanoyl]amino]-3-phenylpropanoyl]amino]-3-oxopropyl]phenyl]-N'-[(2R)-1-oxo-3-thiophen-2-ylpropan-2-yl]butanediamide
CID 143947248
(2R)-N-[(2R)-3-(2-fluorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N-methyl-2-(methylamino)-3-naphthalen-2-ylpropanamide
CID 54043462
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide?
The IUPAC name of 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide (CID 140992725) is 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide is CNC(=O)[C@@H](Cc1cccs1)NC(=O)C(Cc1ccc2ccccc2c1)NC.
What is the InChIKey of 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide?
The InChIKey is BUERFVHQQVCLQG-GFOWMXPYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-23-19(13-15-9-10-16-6-3-4-7-17(16)12-15)22(27)25-20(21(26)24-2)14-18-8-5-11-28-18/h3-12,19-20,23H,13-14H2,1-2H3,(H,24,26)(H,25,27)/t19?,20-/m1/s1.
What are the key properties of 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide?
2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide has a molecular weight of 395.53 g/mol, XLogP of 2.51, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(2R)-1-(methylamino)-1-oxo-3-thiophen-2-ylpropan-2-yl]-3-naphthalen-2-ylpropanamide is sourced from PubChem (CID 140992725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).