N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

C21H24ClFN2O4S — CID 47017544

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C21H24ClFN2O4S/c1-2-29-16-8-10-17(11-9-16)30(27,28)24-13-12-21(26)25(15-6-7-15)14-18-19(22)4-3-5-20(18)23/h3-5,8-11,15,24H,2,6-7,12-14H2,1H3
InChIKeyLNFIGTGESFAKSG-UHFFFAOYSA-N
MW454.95 g/mol
LogP3.74
Rot. Bonds10

About N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (PubChem CID 47017544) has the molecular formula C21H24ClFN2O4S and a molecular weight of 454.95 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
PubChem CID47017544
Molecular FormulaC21H24ClFN2O4S
Molecular Weight454.95 g/mol
Exact Mass454.11
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C21H24ClFN2O4S/c1-2-29-16-8-10-17(11-9-16)30(27,28)24-13-12-21(26)25(15-6-7-15)14-18-19(22)4-3-5-20(18)23/h3-5,8-11,15,24H,2,6-7,12-14H2,1H3
InChIKeyLNFIGTGESFAKSG-UHFFFAOYSA-N
XLogP3.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[benzyl(methyl)carbamoyl]amino]-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpropanamide
CID 56516235
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[(3,4-dichlorophenyl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 26622464
3-[(4-acetylphenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]propanamide
CID 112816229
3-[(4-ethoxyphenyl)sulfonylamino]-N-methyl-N-propan-2-ylpropanamide
CID 78843826
N-(cyclohexylmethyl)-3-[(4-ethoxyphenyl)sulfonylamino]-N-methylpropanamide
CID 36521100
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 27514876
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145158
4-[[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]amino]-N,N-dimethylbutanamide
CID 122568629
3-[(3-chlorophenyl)sulfonylamino]-N-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]propanamide
CID 32589258
3-[(4-bromophenyl)sulfonylamino]-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 26426569
N-[4-[(2-chloro-6-fluorophenyl)methyl-cyclopropylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 51315143

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide (CID 47017544) is N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is CCOc1ccc(S(=O)(=O)NCCC(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
The InChIKey is LNFIGTGESFAKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O4S/c1-2-29-16-8-10-17(11-9-16)30(27,28)24-13-12-21(26)25(15-6-7-15)14-18-19(22)4-3-5-20(18)23/h3-5,8-11,15,24H,2,6-7,12-14H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide has a molecular weight of 454.95 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-[(4-ethoxyphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 47017544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).