4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide

C14H16ClF2N3O3S — CID 167893321

IUPAC4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H16ClF2N3O3S/c15-9-5-8(1-2-11(9)23-14(16)17)19-12(21)6-20-3-4-24-7-10(20)13(18)22/h1-2,5,10,14H,3-4,6-7H2,(H2,18,22)(H,19,21)
InChIKeyJSAYWEOSLPYTPK-UHFFFAOYSA-N
MW379.82 g/mol
LogP1.78
Rot. Bonds6

About 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide

4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide (PubChem CID 167893321) has the molecular formula C14H16ClF2N3O3S and a molecular weight of 379.82 g/mol. Its IUPAC name is 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide
PubChem CID167893321
Molecular FormulaC14H16ClF2N3O3S
Molecular Weight379.82 g/mol
Exact Mass379.06
IUPAC Name4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide
SMILESNC(=O)C1CSCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C14H16ClF2N3O3S/c15-9-5-8(1-2-11(9)23-14(16)17)19-12(21)6-20-3-4-24-7-10(20)13(18)22/h1-2,5,10,14H,3-4,6-7H2,(H2,18,22)(H,19,21)
InChIKeyJSAYWEOSLPYTPK-UHFFFAOYSA-N
XLogP1.78
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942
4-[2-(3-chloro-4-methylanilino)-2-oxoethyl]thiomorpholine-3-carboxylic acid
CID 82897547
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557
2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 8696467
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340
(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55649112
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 17024298
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 19527124
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide?
The IUPAC name of 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide (CID 167893321) is 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide is NC(=O)C1CSCCN1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide?
The InChIKey is JSAYWEOSLPYTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N3O3S/c15-9-5-8(1-2-11(9)23-14(16)17)19-12(21)6-20-3-4-24-7-10(20)13(18)22/h1-2,5,10,14H,3-4,6-7H2,(H2,18,22)(H,19,21).
What are the key properties of 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide?
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 167893321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).