[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate

C19H22N2O4S — CID 154117139

IUPAC[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate
SMILESCOCCN(C(=O)Oc1cccc(NC(C)=S)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(26)20-15-5-4-6-18(13-15)25-19(22)21(11-12-23-2)16-7-9-17(24-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,20,26)
InChIKeyAPNIEMXZLIZKLP-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.11
Rot. Bonds7

About [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate

[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate (PubChem CID 154117139) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate
PubChem CID154117139
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate
SMILESCOCCN(C(=O)Oc1cccc(NC(C)=S)c1)c1ccc(OC)cc1
InChIInChI=1S/C19H22N2O4S/c1-14(26)20-15-5-4-6-18(13-15)25-19(22)21(11-12-23-2)16-7-9-17(24-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,20,26)
InChIKeyAPNIEMXZLIZKLP-UHFFFAOYSA-N
XLogP4.11
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(ethanethioylamino)phenyl] N-(2-ethoxyethyl)-N-(3-methylphenyl)carbamate
CID 154324215
[3-(ethanethioylamino)phenyl] N-(2-bromoethyl)-N-[3-(trifluoromethyl)phenyl]carbamate
CID 57302650
[3-(propanethioylamino)phenyl] N-(2-butoxyethyl)-N-(4-methylphenyl)carbamate
CID 154176695
1,1-bis(2-methoxyethyl)-3-(3-methoxyphenyl)urea
CID 108869156
[3-(propanoylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 54282539
[3-[bis(2-methoxyethyl)carbamoylamino]phenyl] acetate
CID 108865269
2-[acetyl(3-methoxypropyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113160118
4-(4-methoxy-N-methylanilino)sulfanyl-N-(3-methoxyphenyl)benzamide
CID 139505953
[3-(2-methylpropoxycarbonylamino)phenyl] N-(2-ethoxyethyl)-N-phenylcarbamate
CID 154122641
[3-(propan-2-yloxycarbonylamino)phenyl] N-(2-bromoethyl)-N-(4-methylphenyl)carbamate
CID 57260750
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279

Frequently Asked Questions

What is the IUPAC name of [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate?
The IUPAC name of [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate (CID 154117139) is [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate?
The canonical SMILES for [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate is COCCN(C(=O)Oc1cccc(NC(C)=S)c1)c1ccc(OC)cc1.
What is the InChIKey of [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate?
The InChIKey is APNIEMXZLIZKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(26)20-15-5-4-6-18(13-15)25-19(22)21(11-12-23-2)16-7-9-17(24-3)10-8-16/h4-10,13H,11-12H2,1-3H3,(H,20,26).
What are the key properties of [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate?
[3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate has a molecular weight of 374.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethanethioylamino)phenyl] N-(2-methoxyethyl)-N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 154117139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).