1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea

C20H24N2S — CID 3820363

IUPAC1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea
SMILESCCCN(CC1CC1)C(=S)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2S/c1-2-14-22(15-16-12-13-16)20(23)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,21,23)
InChIKeyHJJGKQARKOYMSK-UHFFFAOYSA-N
MW324.49 g/mol
LogP5.17
Rot. Bonds6

About 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea

1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea (PubChem CID 3820363) has the molecular formula C20H24N2S and a molecular weight of 324.49 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea
PubChem CID3820363
Molecular FormulaC20H24N2S
Molecular Weight324.49 g/mol
Exact Mass324.17
IUPAC Name1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea
SMILESCCCN(CC1CC1)C(=S)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2S/c1-2-14-22(15-16-12-13-16)20(23)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,21,23)
InChIKeyHJJGKQARKOYMSK-UHFFFAOYSA-N
XLogP5.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.49
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclopropylmethyl)-3-(2-methoxyphenyl)-1-propylthiourea
CID 715557
3-naphthalen-1-yl-1,1-dipropylthiourea
CID 19653014
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
3-(3-chloro-2-methylphenyl)-1,1-dipropylthiourea
CID 17379704
N-[cyclopropylmethyl(propyl)carbamothioyl]cyclopropanecarboxamide
CID 2421810
2-(cyclopropylmethylamino)-N-(2-phenylphenyl)acetamide;hydrochloride
CID 119675331
1,1-dibutyl-3-(2-methylphenyl)thiourea
CID 19653127
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001
(2S)-2-amino-N-(cyclopropylmethyl)-2-phenyl-N-propylacetamide
CID 93193539
(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
N-(cyclopropylmethyl)-2-phenyl-N-propyl-1,3-thiazole-5-carboxamide
CID 86991083

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea (CID 3820363) is 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea is CCCN(CC1CC1)C(=S)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea?
The InChIKey is HJJGKQARKOYMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2S/c1-2-14-22(15-16-12-13-16)20(23)21-19-11-7-6-10-18(19)17-8-4-3-5-9-17/h3-11,16H,2,12-15H2,1H3,(H,21,23).
What are the key properties of 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea?
1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea has a molecular weight of 324.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(2-phenylphenyl)-1-propylthiourea is sourced from PubChem (CID 3820363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).