N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C20H22F2N2O4S — CID 27445242

IUPACN-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H22F2N2O4S/c21-20(22)28-18-6-2-1-5-17(18)23-19(25)12-9-15-7-10-16(11-8-15)29(26,27)24-13-3-4-14-24/h1-2,5-8,10-11,20H,3-4,9,12-14H2,(H,23,25)
InChIKeySCZPUSVDUCFHFO-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 27445242) has the molecular formula C20H22F2N2O4S and a molecular weight of 424.47 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID27445242
Molecular FormulaC20H22F2N2O4S
Molecular Weight424.47 g/mol
Exact Mass424.13
IUPAC NameN-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1OC(F)F
InChIInChI=1S/C20H22F2N2O4S/c21-20(22)28-18-6-2-1-5-17(18)23-19(25)12-9-15-7-10-16(11-8-15)29(26,27)24-13-3-4-14-24/h1-2,5-8,10-11,20H,3-4,9,12-14H2,(H,23,25)
InChIKeySCZPUSVDUCFHFO-UHFFFAOYSA-N
XLogP3.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 32621375
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
N-(2,5-difluorophenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27444998
N-[2-(difluoromethoxy)phenyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 4306342
3-(4-pyrrolidin-1-ylsulfonylphenyl)-N-(2,3,4-trifluorophenyl)propanamide
CID 27444974
N-(4-methyl-2-phenylmethoxyphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55889452
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylphenyl)propanamide
CID 16577582
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(triazol-1-yl)phenyl]propanamide
CID 112827697
N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 56500263
N-(2,6-dimethylphenyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 16567459
N-(5-bromo-2-methoxyphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 60540334

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 27445242) is N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1OC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is SCZPUSVDUCFHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O4S/c21-20(22)28-18-6-2-1-5-17(18)23-19(25)12-9-15-7-10-16(11-8-15)29(26,27)24-13-3-4-14-24/h1-2,5-8,10-11,20H,3-4,9,12-14H2,(H,23,25).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 424.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 27445242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).