(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide

C15H22F2N4O3S — CID 52521152

IUPAC(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1
InChIInChI=1S/C15H22F2N4O3S/c1-10(15(22)20-14-7-12(16)4-5-13(14)17)21-6-2-3-11(9-21)8-19-25(18,23)24/h4-5,7,10-11,19H,2-3,6,8-9H2,1H3,(H,20,22)(H2,18,23,24)/t10-,11+/m0/s1
InChIKeyMBHCTBVTJBAMMX-WDEREUQCSA-N
MW376.43 g/mol
LogP0.80
Rot. Bonds6

About (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide

(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide (PubChem CID 52521152) has the molecular formula C15H22F2N4O3S and a molecular weight of 376.43 g/mol. Its IUPAC name is (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
PubChem CID52521152
Molecular FormulaC15H22F2N4O3S
Molecular Weight376.43 g/mol
Exact Mass376.14
IUPAC Name(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1
InChIInChI=1S/C15H22F2N4O3S/c1-10(15(22)20-14-7-12(16)4-5-13(14)17)21-6-2-3-11(9-21)8-19-25(18,23)24/h4-5,7,10-11,19H,2-3,6,8-9H2,1H3,(H,20,22)(H2,18,23,24)/t10-,11+/m0/s1
InChIKeyMBHCTBVTJBAMMX-WDEREUQCSA-N
XLogP0.80
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide
CID 52521154
N-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 46630906
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
1-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119905072
N-(2,5-difluorophenyl)-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]propanamide
CID 60500673
N-(2,5-difluorophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 71930629
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
N-(2-amino-4-fluorophenyl)-2-(4-methylazepan-1-yl)propanamide
CID 63622745
2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 120760107
N-cyclopropyl-2-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 43037820

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide (CID 52521152) is (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCC[C@H](CNS(N)(=O)=O)C1.
What is the InChIKey of (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide?
The InChIKey is MBHCTBVTJBAMMX-WDEREUQCSA-N. The full InChI is InChI=1S/C15H22F2N4O3S/c1-10(15(22)20-14-7-12(16)4-5-13(14)17)21-6-2-3-11(9-21)8-19-25(18,23)24/h4-5,7,10-11,19H,2-3,6,8-9H2,1H3,(H,20,22)(H2,18,23,24)/t10-,11+/m0/s1.
What are the key properties of (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide?
(2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide has a molecular weight of 376.43 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-difluorophenyl)-2-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 52521152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).