ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate

C14H12Cl2N2O3S — CID 52670529

IUPACethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C14H12Cl2N2O3S/c1-2-21-14(20)18-17-13(19)12-4-3-11(22-12)8-5-9(15)7-10(16)6-8/h3-7H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyOMRGGLZGJLFLSF-UHFFFAOYSA-N
MW359.23 g/mol
LogP4.11
Rot. Bonds3

About ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate

ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate (PubChem CID 52670529) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate
PubChem CID52670529
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Nameethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C14H12Cl2N2O3S/c1-2-21-14(20)18-17-13(19)12-4-3-11(22-12)8-5-9(15)7-10(16)6-8/h3-7H,2H2,1H3,(H,17,19)(H,18,20)
InChIKeyOMRGGLZGJLFLSF-UHFFFAOYSA-N
XLogP4.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N'-(2-thiophen-3-ylacetyl)benzohydrazide
CID 7918359
3-chloro-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide
CID 2712962
3-(4-Chlorophenyl)-5-(methylsulfanyl)-2-thiophenecarbohydrazide
CID 2767982
3,4-Dichloro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 793916
N'-[(2-chlorophenyl)-oxomethyl]-2-thiophenecarbohydrazide
CID 809168
4-Chloro-benzoic acid N'-(thiophene-2-carbonyl)-hydrazide
CID 809170
N'-(2,4-dichlorobenzoyl)-2-thiophenecarbohydrazide
CID 809172
5-bromo-N'-(3-chlorobenzoyl)thiophene-2-carbohydrazide
CID 4853087
N'-(3,5-dichlorobenzoyl)-4-methylthiophene-2-carbohydrazide
CID 2808322
4-(3-Chloro-4-fluorophenyl)thiophene-3-carbohydrazide
CID 129219701
N'-(3-chlorobenzoyl)-2-thiophenecarbohydrazide
CID 795882
N'-(5-chloro-2-fluorobenzoyl)thiophene-2-carbohydrazide
CID 9085435

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate?
The IUPAC name of ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate (CID 52670529) is ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate?
The canonical SMILES for ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate is CCOC(=O)NNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate?
The InChIKey is OMRGGLZGJLFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-2-21-14(20)18-17-13(19)12-4-3-11(22-12)8-5-9(15)7-10(16)6-8/h3-7H,2H2,1H3,(H,17,19)(H,18,20).
What are the key properties of ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate?
ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate has a molecular weight of 359.23 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[5-(3,5-dichlorophenyl)thiophene-2-carbonyl]amino]carbamate is sourced from PubChem (CID 52670529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).