1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea

C19H16ClN3OS — CID 9469008

IUPAC1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3OS/c20-16-7-9-17(10-8-16)21-19(25)23-22-18(24)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyVFZSWIDPMCTYRK-UHFFFAOYSA-N
MW369.88 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea

1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea (PubChem CID 9469008) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
PubChem CID9469008
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC Name1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
SMILESO=C(Cc1ccc2ccccc2c1)NNC(=S)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H16ClN3OS/c20-16-7-9-17(10-8-16)21-19(25)23-22-18(24)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H,22,24)(H2,21,23,25)
InChIKeyVFZSWIDPMCTYRK-UHFFFAOYSA-N
XLogP4.05
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.88
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

4-chloro-N-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzamide
CID 101082700
2-[2-[2-[(4-chlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 4096018
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
1-[(4-fluorophenyl)methyl]-3-[(2-naphthalen-2-ylacetyl)amino]thiourea
CID 8942575
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
1-[[2-(3,4-dimethylphenyl)acetyl]amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9157491
1-(4-chlorophenyl)-3-[[2-(1-methylpyrrol-2-yl)acetyl]amino]thiourea
CID 2327841
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
1-(4-chlorophenyl)-3-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiourea
CID 17373020
(E)-3-(4-chlorophenyl)-N-(naphthalen-2-ylcarbamothioyl)prop-2-enamide
CID 17232261

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea (CID 9469008) is 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea is O=C(Cc1ccc2ccccc2c1)NNC(=S)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
The InChIKey is VFZSWIDPMCTYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-16-7-9-17(10-8-16)21-19(25)23-22-18(24)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H,22,24)(H2,21,23,25).
What are the key properties of 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea?
1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea has a molecular weight of 369.88 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2-naphthalen-2-ylacetyl)amino]thiourea is sourced from PubChem (CID 9469008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).