N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

C23H26N4O4S — CID 118226803

IUPACN-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOCC(NC(=O)c1csc(C)n1)C(=O)NC(C)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C23H26N4O4S/c1-14(21(28)24-11-17-9-6-8-16-7-4-5-10-18(16)17)25-22(29)19(12-31-3)27-23(30)20-13-32-15(2)26-20/h4-10,13-14,19H,11-12H2,1-3H3,(H,24,28)(H,25,29)(H,27,30)
InChIKeyHBTCCIHZSWZAQG-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.17
Rot. Bonds9

About N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 118226803) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID118226803
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC NameN-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOCC(NC(=O)c1csc(C)n1)C(=O)NC(C)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C23H26N4O4S/c1-14(21(28)24-11-17-9-6-8-16-7-4-5-10-18(16)17)25-22(29)19(12-31-3)27-23(30)20-13-32-15(2)26-20/h4-10,13-14,19H,11-12H2,1-3H3,(H,24,28)(H,25,29)(H,27,30)
InChIKeyHBTCCIHZSWZAQG-UHFFFAOYSA-N
XLogP2.17
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanediamide
CID 129093845
4-[(2S)-3-methoxy-1-[[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 140782388
(2S)-2-amino-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]butanamide
CID 139397810
(3S)-4-[[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-4-oxo-3-(3-phenylpropylamino)butanoic acid
CID 118226695
2-methyl-N-[(2-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 110476240
N-(2-methoxyethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61284998
2-(2-methoxyethylamino)-N-(naphthalen-1-ylmethyl)acetamide;hydrochloride
CID 119709577
(2S)-N-[(2S)-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-[(4-methylphenyl)sulfonylamino]butanediamide
CID 129094803
acetic acid;3-methoxy-N-(naphthalen-1-ylmethyl)-2-[[2-(3-phenylpropanoylamino)acetyl]amino]propanamide
CID 144886390
2-methyl-3-(methylamino)-N-(naphthalen-1-ylmethyl)propanamide;hydrochloride
CID 119709567
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
(2R,5S)-6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)-4-oxo-5-(3-phenylpropanoylamino)hexanamide
CID 158584949

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 118226803) is N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is COCC(NC(=O)c1csc(C)n1)C(=O)NC(C)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HBTCCIHZSWZAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-14(21(28)24-11-17-9-6-8-16-7-4-5-10-18(16)17)25-22(29)19(12-31-3)27-23(30)20-13-32-15(2)26-20/h4-10,13-14,19H,11-12H2,1-3H3,(H,24,28)(H,25,29)(H,27,30).
What are the key properties of N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 2.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-1-[[1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 118226803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).