1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea

C19H16ClN3O3S — CID 18871792

IUPAC1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-25-15-7-5-14(6-8-15)21-19(27)23-22-18(24)17-10-9-16(26-17)12-3-2-4-13(20)11-12/h2-11H,1H3,(H,22,24)(H2,21,23,27)
InChIKeyIWZBYOKAUHFVLP-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.24
Rot. Bonds4

About 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea

1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea (PubChem CID 18871792) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea
PubChem CID18871792
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea
SMILESCOc1ccc(NC(=S)NNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1
InChIInChI=1S/C19H16ClN3O3S/c1-25-15-7-5-14(6-8-15)21-19(27)23-22-18(24)17-10-9-16(26-17)12-3-2-4-13(20)11-12/h2-11H,1H3,(H,22,24)(H2,21,23,27)
InChIKeyIWZBYOKAUHFVLP-UHFFFAOYSA-N
XLogP4.24
TPSA75.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-(3-chlorophenyl)-N-(4-methoxyphenyl)furan-2-carboxamide
CID 880701
5-(3-chlorophenyl)-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]furan-2-carboxamide
CID 4635786
1-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]-3-(4-methylphenyl)thiourea
CID 18871714
N-[[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17317117
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
1-(3-chlorophenyl)-3-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]thiourea
CID 9428356
5-(3-fluorophenyl)-N'-(4-methoxybenzoyl)furan-2-carbohydrazide
CID 24900154
N-[4-(acetylcarbamothioylamino)phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
CID 5230073
N-[(4-chlorophenyl)carbamothioyl]-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3913723
N-[[5-(butanoylamino)-2-chlorophenyl]carbamothioyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 4512437
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871805
5-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-2-hydroxybenzoic acid
CID 28670286

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea?
The IUPAC name of 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea (CID 18871792) is 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea?
The canonical SMILES for 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea is COc1ccc(NC(=S)NNC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1.
What is the InChIKey of 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea?
The InChIKey is IWZBYOKAUHFVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-25-15-7-5-14(6-8-15)21-19(27)23-22-18(24)17-10-9-16(26-17)12-3-2-4-13(20)11-12/h2-11H,1H3,(H,22,24)(H2,21,23,27).
What are the key properties of 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea?
1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea has a molecular weight of 401.88 g/mol, XLogP of 4.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3-chlorophenyl)furan-2-carbonyl]amino]-3-(4-methoxyphenyl)thiourea is sourced from PubChem (CID 18871792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).