1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea

C20H25N3O4S — CID 8679739

IUPAC1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-25-16-8-6-15(7-9-16)21-20(28)23-22-19(24)14(3)27-18-12-10-17(11-13-18)26-5-2/h6-14H,4-5H2,1-3H3,(H,22,24)(H2,21,23,28)/t14-/m1/s1
InChIKeyRUVGFSVSHROWKE-CQSZACIVSA-N
MW403.50 g/mol
LogP3.27
Rot. Bonds8

About 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea

1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea (PubChem CID 8679739) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
PubChem CID8679739
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea
SMILESCCOc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-4-25-16-8-6-15(7-9-16)21-20(28)23-22-19(24)14(3)27-18-12-10-17(11-13-18)26-5-2/h6-14H,4-5H2,1-3H3,(H,22,24)(H2,21,23,28)/t14-/m1/s1
InChIKeyRUVGFSVSHROWKE-CQSZACIVSA-N
XLogP3.27
TPSA80.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

1-[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-nitrophenyl)thiourea
CID 8679781
1-(3-chloro-4-fluorophenyl)-3-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]thiourea
CID 8768139
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-propylthiourea
CID 8768164
1-(4-ethoxyphenyl)-3-[[3-[2-[(4-ethoxyphenyl)carbamothioyl]hydrazinyl]-3-oxopropanoyl]amino]thiourea
CID 2831126
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
1-[(2,2-diphenylacetyl)amino]-3-(4-ethoxyphenyl)thiourea
CID 40631596
1-phenyl-3-[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]thiourea
CID 39819113
1-[[(2R)-2-(4-bromophenoxy)propanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469334
1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 8680381
1,3-bis(4-ethoxyphenyl)thiourea;germane
CID 172997762
1-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]-3-(4-chlorophenyl)thiourea
CID 8635561
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(3-methylsulfanylpropyl)thiourea
CID 8768211

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea?
The IUPAC name of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea (CID 8679739) is 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea.
What is the SMILES notation for 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea?
The canonical SMILES for 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea is CCOc1ccc(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(OCC)cc2)cc1.
What is the InChIKey of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea?
The InChIKey is RUVGFSVSHROWKE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-4-25-16-8-6-15(7-9-16)21-20(28)23-22-19(24)14(3)27-18-12-10-17(11-13-18)26-5-2/h6-14H,4-5H2,1-3H3,(H,22,24)(H2,21,23,28)/t14-/m1/s1.
What are the key properties of 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea?
1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea has a molecular weight of 403.50 g/mol, XLogP of 3.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(4-ethoxyphenoxy)propanoyl]amino]-3-(4-ethoxyphenyl)thiourea is sourced from PubChem (CID 8679739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).