N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide

C14H13ClF2N2O3S2 — CID 113064685

IUPACN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2N2O3S2/c1-9(20)19(10-2-3-11(16)12(17)8-10)7-6-18-24(21,22)14-5-4-13(15)23-14/h2-5,8,18H,6-7H2,1H3
InChIKeyFDJGDQWDXPZGAW-UHFFFAOYSA-N
MW394.85 g/mol
LogP3.01
Rot. Bonds6

About N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide

N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide (PubChem CID 113064685) has the molecular formula C14H13ClF2N2O3S2 and a molecular weight of 394.85 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
PubChem CID113064685
Molecular FormulaC14H13ClF2N2O3S2
Molecular Weight394.85 g/mol
Exact Mass394.00
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2N2O3S2/c1-9(20)19(10-2-3-11(16)12(17)8-10)7-6-18-24(21,22)14-5-4-13(15)23-14/h2-5,8,18H,6-7H2,1H3
InChIKeyFDJGDQWDXPZGAW-UHFFFAOYSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 113064682
N-(3,4-difluorophenyl)-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 113064672
N-(3,4-difluorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]acetamide
CID 113064664
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-[2-[(5-ethylthiophen-2-yl)sulfonylamino]ethyl]-N-(3-fluorophenyl)acetamide
CID 113062699
N-[4-(dimethylamino)phenyl]-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113062233
N-(3,4-dimethoxyphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113061353
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056910
N-(3-chloro-4-fluorophenyl)-N-[2-[(3-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060127
N-(4-tert-butylphenyl)-N-[2-[(5-methylthiophen-2-yl)sulfonylamino]ethyl]acetamide
CID 113059149
3-(N-acetyl-3,4-difluoroanilino)propanoic acid
CID 28764847
5-chloro-N-[2-(dibutylamino)ethyl]thiophene-2-sulfonamide
CID 4996654

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide (CID 113064685) is N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide is CC(=O)N(CCNS(=O)(=O)c1ccc(Cl)s1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is FDJGDQWDXPZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O3S2/c1-9(20)19(10-2-3-11(16)12(17)8-10)7-6-18-24(21,22)14-5-4-13(15)23-14/h2-5,8,18H,6-7H2,1H3.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide?
N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 394.85 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 113064685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).