3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C14H15F2N3O3S2 — CID 86866305

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2N3O3S2/c1-9-17-7-10(23-9)8-18-14(20)4-5-19-24(21,22)11-2-3-12(15)13(16)6-11/h2-3,6-7,19H,4-5,8H2,1H3,(H,18,20)
InChIKeyAYSRFHDMAFEUID-UHFFFAOYSA-N
MW375.42 g/mol
LogP1.71
Rot. Bonds7

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 86866305) has the molecular formula C14H15F2N3O3S2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID86866305
Molecular FormulaC14H15F2N3O3S2
Molecular Weight375.42 g/mol
Exact Mass375.05
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)s1
InChIInChI=1S/C14H15F2N3O3S2/c1-9-17-7-10(23-9)8-18-14(20)4-5-19-24(21,22)11-2-3-12(15)13(16)6-11/h2-3,6-7,19H,4-5,8H2,1H3,(H,18,20)
InChIKeyAYSRFHDMAFEUID-UHFFFAOYSA-N
XLogP1.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-difluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 47101447
3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 47101515
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 55408072
3-[(3,4-difluorophenyl)sulfonylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 25403138
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 55376345
3-[(3,4-difluorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 24539448
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)propanamide
CID 32934295
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 24547426
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(3,4-difluorophenyl)sulfonylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]propanamide
CID 24543919
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 86866305) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)s1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is AYSRFHDMAFEUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S2/c1-9-17-7-10(23-9)8-18-14(20)4-5-19-24(21,22)11-2-3-12(15)13(16)6-11/h2-3,6-7,19H,4-5,8H2,1H3,(H,18,20).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 375.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 86866305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).