1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

C19H25N3O3S — CID 9367532

IUPAC1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H25N3O3S/c1-12(11-24-3)20-19(26)22-21-18(23)13(2)14-5-6-16-10-17(25-4)8-7-15(16)9-14/h5-10,12-13H,11H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13+/m1/s1
InChIKeyISUPGVHAYJYPQH-OLZOCXBDSA-N
MW375.49 g/mol
LogP2.48
Rot. Bonds6

About 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea

1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (PubChem CID 9367532) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.

Molecular Properties

Compound Name1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
PubChem CID9367532
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
SMILESCOC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H25N3O3S/c1-12(11-24-3)20-19(26)22-21-18(23)13(2)14-5-6-16-10-17(25-4)8-7-15(16)9-14/h5-10,12-13H,11H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13+/m1/s1
InChIKeyISUPGVHAYJYPQH-OLZOCXBDSA-N
XLogP2.48
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxynaphthalen-2-yl)propanamide;hydrochloride
CID 120507302
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
1-[(2,2-diphenylacetyl)amino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9478452
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-N'-[2-(4-chlorophenyl)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 46656893
(2S)-N'-[2-(4-fluorophenoxy)acetyl]-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 9379131
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
(2S)-N'-(2-anilinoacetyl)-2-(6-methoxynaphthalen-2-yl)propanehydrazide
CID 47066845

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The IUPAC name of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea (CID 9367532) is 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea.
What is the SMILES notation for 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The canonical SMILES for 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is COC[C@@H](C)NC(=S)NNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
The InChIKey is ISUPGVHAYJYPQH-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12(11-24-3)20-19(26)22-21-18(23)13(2)14-5-6-16-10-17(25-4)8-7-15(16)9-14/h5-10,12-13H,11H2,1-4H3,(H,21,23)(H2,20,22,26)/t12-,13+/m1/s1.
What are the key properties of 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea?
1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea has a molecular weight of 375.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea is sourced from PubChem (CID 9367532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).