2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide

C18H20ClN3O2S — CID 43888076

IUPAC2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
SMILESCCNC(=S)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-3-20-18(25)22-14-10-8-13(9-11-14)21-17(23)12(2)24-16-7-5-4-6-15(16)19/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,25)
InChIKeyKSGLNKLJNOXQPZ-UHFFFAOYSA-N
MW377.90 g/mol
LogP4.05
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide (PubChem CID 43888076) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
PubChem CID43888076
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC Name2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
SMILESCCNC(=S)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClN3O2S/c1-3-20-18(25)22-14-10-8-13(9-11-14)21-17(23)12(2)24-16-7-5-4-6-15(16)19/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,25)
InChIKeyKSGLNKLJNOXQPZ-UHFFFAOYSA-N
XLogP4.05
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]octanamide
CID 43888109
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]-4-methoxybenzamide
CID 43888041
2-(2-chlorophenoxy)-N-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]carbamothioylamino]phenyl]propanamide
CID 43888066
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
2-methoxyethyl 4-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylamino]-4-oxobutanoate
CID 43888113
2-(2-chlorophenoxy)-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]propanamide
CID 54780661
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
methyl 3-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioylcarbamoyl]benzoate
CID 43888145

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide (CID 43888076) is 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide is CCNC(=S)Nc1ccc(NC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide?
The InChIKey is KSGLNKLJNOXQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-3-20-18(25)22-14-10-8-13(9-11-14)21-17(23)12(2)24-16-7-5-4-6-15(16)19/h4-12H,3H2,1-2H3,(H,21,23)(H2,20,22,25).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide has a molecular weight of 377.90 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide is sourced from PubChem (CID 43888076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).