N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide

C19H22N2O3S — CID 19188354

IUPACN-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
SMILESCCOc1ccccc1NC(=S)NC(=O)CCCOc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-2-23-17-12-7-6-11-16(17)20-19(25)21-18(22)13-8-14-24-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H2,20,21,22,25)
InChIKeyRMPKDUSGRDRXJR-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.76
Rot. Bonds8

About N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide

N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide (PubChem CID 19188354) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
PubChem CID19188354
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide
SMILESCCOc1ccccc1NC(=S)NC(=O)CCCOc1ccccc1
InChIInChI=1S/C19H22N2O3S/c1-2-23-17-12-7-6-11-16(17)20-19(25)21-18(22)13-8-14-24-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H2,20,21,22,25)
InChIKeyRMPKDUSGRDRXJR-UHFFFAOYSA-N
XLogP3.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-butoxyphenyl)carbamothioyl]-4-phenoxybutanamide
CID 19188363
2-ethoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131059
2-phenylethyl 4-[(2-ethoxyphenyl)carbamothioylamino]-4-oxobutanoate
CID 4947317
4-phenoxy-N-[[2-(trifluoromethyl)phenyl]carbamothioyl]butanamide
CID 19188424
N-[(2-methoxyphenyl)carbamothioyl]pentanamide
CID 19187716
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
2-(4-bromophenoxy)-N-[(2-ethoxyphenyl)carbamothioyl]acetamide
CID 21212223
ethyl (E)-4-oxo-4-[[2-(2-phenoxyethoxy)phenyl]carbamothioylamino]but-2-enoate
CID 17131049
N-[(2-ethoxyphenyl)carbamothioyl]-4-heptoxybenzamide
CID 4950954
2-(4-methoxyphenyl)-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]acetamide
CID 17131022
2-butoxy-N-[[2-(2-phenoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17131066
N-(2,5-diethoxyphenyl)-4-phenoxybutanamide
CID 31526572

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide?
The IUPAC name of N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide (CID 19188354) is N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide is CCOc1ccccc1NC(=S)NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide?
The InChIKey is RMPKDUSGRDRXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-23-17-12-7-6-11-16(17)20-19(25)21-18(22)13-8-14-24-15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H2,20,21,22,25).
What are the key properties of N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide?
N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide has a molecular weight of 358.46 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)carbamothioyl]-4-phenoxybutanamide is sourced from PubChem (CID 19188354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).