1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea

C17H20N2OS — CID 2900428

IUPAC1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
SMILESCCNC(=S)NC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2OS/c1-3-18-17(21)19-16(13-7-5-4-6-8-13)14-9-11-15(20-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,18,19,21)
InChIKeyUYEDXRGXNHIOJC-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.27
Rot. Bonds5

About 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea

1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea (PubChem CID 2900428) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
PubChem CID2900428
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea
SMILESCCNC(=S)NC(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2OS/c1-3-18-17(21)19-16(13-7-5-4-6-8-13)14-9-11-15(20-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,18,19,21)
InChIKeyUYEDXRGXNHIOJC-UHFFFAOYSA-N
XLogP3.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzhydryl-3-[(4-methoxyphenyl)methyl]thiourea
CID 8618623
1-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-(2-methylprop-2-enyl)thiourea
CID 9216061
1-ethyl-3-[(S)-(4-methylphenyl)-phenylmethyl]thiourea
CID 8696622
1-[3-(dimethylamino)propyl]-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216300
1-ethyl-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218078
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9216219
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]azanium
CID 8710968
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea
CID 9216074
1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216135
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
[2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 8520427

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea?
The IUPAC name of 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea (CID 2900428) is 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea?
The canonical SMILES for 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea is CCNC(=S)NC(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea?
The InChIKey is UYEDXRGXNHIOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-3-18-17(21)19-16(13-7-5-4-6-8-13)14-9-11-15(20-2)12-10-14/h4-12,16H,3H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea?
1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea has a molecular weight of 300.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methoxyphenyl)-phenylmethyl]thiourea is sourced from PubChem (CID 2900428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).