1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea

C19H19N3O3S — CID 35396970

IUPAC1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
SMILESCCNc1c(NC(=O)Nc2cccc(SC)c2)c(=O)oc2ccccc12
InChIInChI=1S/C19H19N3O3S/c1-3-20-16-14-9-4-5-10-15(14)25-18(23)17(16)22-19(24)21-12-7-6-8-13(11-12)26-2/h4-11,20H,3H2,1-2H3,(H2,21,22,24)
InChIKeyBCZDMWMYIRLHPR-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.59
Rot. Bonds5

About 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea

1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea (PubChem CID 35396970) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
PubChem CID35396970
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
SMILESCCNc1c(NC(=O)Nc2cccc(SC)c2)c(=O)oc2ccccc12
InChIInChI=1S/C19H19N3O3S/c1-3-20-16-14-9-4-5-10-15(14)25-18(23)17(16)22-19(24)21-12-7-6-8-13(11-12)26-2/h4-11,20H,3H2,1-2H3,(H2,21,22,24)
InChIKeyBCZDMWMYIRLHPR-UHFFFAOYSA-N
XLogP4.59
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762131
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
CID 35396955
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
CID 22432408
1-[4-(cyclopentylamino)-2-oxochromen-3-yl]-3-(3-fluorophenyl)urea
CID 50763443
N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 2093172
1-[4-(benzylamino)-2-oxochromen-3-yl]-3-(4-ethoxyphenyl)urea
CID 50763402
1-(3-acetylphenyl)-3-[4-(cyclohexylamino)-2-oxochromen-3-yl]urea
CID 35396881

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea (CID 35396970) is 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea is CCNc1c(NC(=O)Nc2cccc(SC)c2)c(=O)oc2ccccc12.
What is the InChIKey of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea?
The InChIKey is BCZDMWMYIRLHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-3-20-16-14-9-4-5-10-15(14)25-18(23)17(16)22-19(24)21-12-7-6-8-13(11-12)26-2/h4-11,20H,3H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea?
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea has a molecular weight of 369.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 35396970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).