1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea

C19H21N3O2S — CID 999032

IUPAC1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-12-3-5-13(6-4-12)16-11-17(16)18(23)21-22-19(25)20-14-7-9-15(24-2)10-8-14/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,25)/t16-,17+/m1/s1
InChIKeyUTBAJMATHYZKEM-SJORKVTESA-N
MW355.46 g/mol
LogP3.12
Rot. Bonds4

About 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea

1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (PubChem CID 999032) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
PubChem CID999032
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C19H21N3O2S/c1-12-3-5-13(6-4-12)16-11-17(16)18(23)21-22-19(25)20-14-7-9-15(24-2)10-8-14/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,25)/t16-,17+/m1/s1
InChIKeyUTBAJMATHYZKEM-SJORKVTESA-N
XLogP3.12
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[(1R,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(4-methoxyphenyl)thiourea
CID 998858
1-[[(1S,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]-3-(4-nitrophenyl)thiourea
CID 7304305
1-(3-methylphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843482
1-[[(1S,2S)-2-(4-chlorophenyl)cyclopropanecarbonyl]amino]-3-(3-methoxyphenyl)thiourea
CID 998891
1-benzyl-3-[[(1R,2R)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea
CID 843472
trans-(1R,2R)-2-(4-methoxyphenyl)-N-(2H-triazol-4-yl)cyclopropane-1-carboxamide
CID 138027191
1-[(3R)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-3-(4-methylphenyl)urea
CID 134255085
N-[(4-methoxyphenyl)carbamothioyl]cyclopentanecarboxamide
CID 4924408
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)carbamothioyl]acetamide
CID 922748
N'-[2-(4-fluorophenyl)cyclopropanecarbonyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78832186
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea (CID 999032) is 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
The InChIKey is UTBAJMATHYZKEM-SJORKVTESA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-3-5-13(6-4-12)16-11-17(16)18(23)21-22-19(25)20-14-7-9-15(24-2)10-8-14/h3-10,16-17H,11H2,1-2H3,(H,21,23)(H2,20,22,25)/t16-,17+/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea?
1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea has a molecular weight of 355.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[[(1S,2S)-2-(4-methylphenyl)cyclopropanecarbonyl]amino]thiourea is sourced from PubChem (CID 999032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).