3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

C12H8Cl2F2N2O2S — CID 61104305

IUPAC3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-3-5(4-7(14)9(6)20-12(15)16)18-11(19)10-8(17)1-2-21-10/h1-4,12H,17H2,(H,18,19)
InChIKeyPWMWJISELBDXKM-UHFFFAOYSA-N
MW353.18 g/mol
LogP4.49
Rot. Bonds4

About 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide

3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (PubChem CID 61104305) has the molecular formula C12H8Cl2F2N2O2S and a molecular weight of 353.18 g/mol. Its IUPAC name is 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
PubChem CID61104305
Molecular FormulaC12H8Cl2F2N2O2S
Molecular Weight353.18 g/mol
Exact Mass351.97
IUPAC Name3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide
SMILESNc1ccsc1C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H8Cl2F2N2O2S/c13-6-3-5(4-7(14)9(6)20-12(15)16)18-11(19)10-8(17)1-2-21-10/h1-4,12H,17H2,(H,18,19)
InChIKeyPWMWJISELBDXKM-UHFFFAOYSA-N
XLogP4.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-chlorophenyl)thiophene-2-carboxamide
CID 61092440
3-amino-N-(4-bromo-3,5-dimethylphenyl)thiophene-2-carboxamide
CID 107571089
3-amino-N-(3-propan-2-ylphenyl)thiophene-2-carboxamide
CID 61092976
3-chloro-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]propanamide
CID 54867408
N-(3-amino-4-chlorophenyl)-3-chlorothiophene-2-carboxamide
CID 80645311
2-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887947
3-amino-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 61090375
tert-butyl N-[3,5-dichloro-4-(difluoromethoxy)phenyl]carbamate
CID 65142779
propan-2-yl 4-[(3-aminothiophene-2-carbonyl)amino]benzoate
CID 61118465
N-(4-amino-3-methylphenyl)-3-chlorothiophene-2-carboxamide
CID 80644262
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 61228423
3-amino-N-(4-ethylphenyl)thiophene-2-carboxamide
CID 61089660

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide (CID 61104305) is 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is Nc1ccsc1C(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1.
What is the InChIKey of 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
The InChIKey is PWMWJISELBDXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2N2O2S/c13-6-3-5(4-7(14)9(6)20-12(15)16)18-11(19)10-8(17)1-2-21-10/h1-4,12H,17H2,(H,18,19).
What are the key properties of 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide?
3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide has a molecular weight of 353.18 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 61104305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).