N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

C14H10ClF2N5O2S — CID 5295431

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C14H10ClF2N5O2S/c15-14(16,17)24-10-5-3-9(4-6-10)18-12(23)8-22-20-13(19-21-22)11-2-1-7-25-11/h1-7H,8H2,(H,18,23)
InChIKeyCVGATZZDDCOTPC-UHFFFAOYSA-N
MW385.78 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (PubChem CID 5295431) has the molecular formula C14H10ClF2N5O2S and a molecular weight of 385.78 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
PubChem CID5295431
Molecular FormulaC14H10ClF2N5O2S
Molecular Weight385.78 g/mol
Exact Mass385.02
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
SMILESO=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)Cl)cc1
InChIInChI=1S/C14H10ClF2N5O2S/c15-14(16,17)24-10-5-3-9(4-6-10)18-12(23)8-22-20-13(19-21-22)11-2-1-7-25-11/h1-7H,8H2,(H,18,23)
InChIKeyCVGATZZDDCOTPC-UHFFFAOYSA-N
XLogP3.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-2-(5-thiophen-2-yl-tetrazol-2-yl)-ethanone
CID 646380
2-{5-[4-(methylsulfanyl)phenyl]-2H-tetrazol-2-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 1045899
2-{[4-amino-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(difluoromethoxy)phenyl]acetamide
CID 7272573
2-[5-(3-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 17490199
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 39814062
N-(3-(methylthio)phenyl)-2-(4-(trifluoromethoxy)phenyl)-2H-tetrazole-5-carboxamide
CID 71791666
N-[4-[chloro(difluoro)methoxy]phenyl]-2-[5-(4-methylsulfonylphenyl)tetrazol-2-yl]acetamide
CID 1260859
2-[5-(2-Thienyl)-2H-tetrazol-2-YL]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5295423
2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3576285
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542048
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542063
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677670

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide (CID 5295431) is N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(OC(F)(F)Cl)cc1.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
The InChIKey is CVGATZZDDCOTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2N5O2S/c15-14(16,17)24-10-5-3-9(4-6-10)18-12(23)8-22-20-13(19-21-22)11-2-1-7-25-11/h1-7H,8H2,(H,18,23).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide has a molecular weight of 385.78 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide is sourced from PubChem (CID 5295431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).