1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea

C22H29N3O2S — CID 9216219

IUPAC1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOc1ccc([C@H](NC(=S)NCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2S/c1-26-20-10-8-19(9-11-20)21(18-6-3-2-4-7-18)24-22(28)23-12-5-13-25-14-16-27-17-15-25/h2-4,6-11,21H,5,12-17H2,1H3,(H2,23,24,28)/t21-/m1/s1
InChIKeyPGWAFAQVFXVTQJ-OAQYLSRUSA-N
MW399.56 g/mol
LogP2.97
Rot. Bonds8

About 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea

1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea (PubChem CID 9216219) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea.

Molecular Properties

Compound Name1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
PubChem CID9216219
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
SMILESCOc1ccc([C@H](NC(=S)NCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C22H29N3O2S/c1-26-20-10-8-19(9-11-20)21(18-6-3-2-4-7-18)24-22(28)23-12-5-13-25-14-16-27-17-15-25/h2-4,6-11,21H,5,12-17H2,1H3,(H2,23,24,28)/t21-/m1/s1
InChIKeyPGWAFAQVFXVTQJ-OAQYLSRUSA-N
XLogP2.97
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-3-(2-morpholin-4-ylethyl)thiourea
CID 1252297
1-[3-(dimethylamino)propyl]-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216300
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108510277
1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
CID 2900428
N-[(S)-(4-methoxyphenyl)-phenylmethyl]morpholine-4-carboxamide
CID 94513081
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
(3S)-3-[benzenesulfonyl(methyl)amino]-3-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 92648113
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930
1-[3H-benzimidazol-5-yl(phenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 42939838
1-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 115570403
1-(3-chloro-4-methoxyphenyl)-3-(3-morpholin-4-ylpropyl)thiourea
CID 8618840
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111309697

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea?
The IUPAC name of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea (CID 9216219) is 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea.
What is the SMILES notation for 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea?
The canonical SMILES for 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea is COc1ccc([C@H](NC(=S)NCCCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea?
The InChIKey is PGWAFAQVFXVTQJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-26-20-10-8-19(9-11-20)21(18-6-3-2-4-7-18)24-22(28)23-12-5-13-25-14-16-27-17-15-25/h2-4,6-11,21H,5,12-17H2,1H3,(H2,23,24,28)/t21-/m1/s1.
What are the key properties of 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea?
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea has a molecular weight of 399.56 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea is sourced from PubChem (CID 9216219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).