2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide

C20H26N4O3S — CID 75259165

IUPAC2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CC(c2ccccc2)NN1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N4O3S/c1-15(24(28(2,26)27)18-11-7-4-8-12-18)20(25)21-14-17-13-19(23-22-17)16-9-5-3-6-10-16/h3-12,15,17,19,22-23H,13-14H2,1-2H3,(H,21,25)
InChIKeyMXAIPJTWVAKBMF-UHFFFAOYSA-N
MW402.52 g/mol
LogP1.57
Rot. Bonds7

About 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide

2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide (PubChem CID 75259165) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide
PubChem CID75259165
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide
SMILESCC(C(=O)NCC1CC(c2ccccc2)NN1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N4O3S/c1-15(24(28(2,26)27)18-11-7-4-8-12-18)20(25)21-14-17-13-19(23-22-17)16-9-5-3-6-10-16/h3-12,15,17,19,22-23H,13-14H2,1-2H3,(H,21,25)
InChIKeyMXAIPJTWVAKBMF-UHFFFAOYSA-N
XLogP1.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
(2S)-N-(2-tert-butylsulfanylethyl)-2-(N-methylsulfonylanilino)propanamide
CID 7303925
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
2-(N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 2915171
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 11898286
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 131841924
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 7333372
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 124721533

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide (CID 75259165) is 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide is CC(C(=O)NCC1CC(c2ccccc2)NN1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide?
The InChIKey is MXAIPJTWVAKBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-15(24(28(2,26)27)18-11-7-4-8-12-18)20(25)21-14-17-13-19(23-22-17)16-9-5-3-6-10-16/h3-12,15,17,19,22-23H,13-14H2,1-2H3,(H,21,25).
What are the key properties of 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide?
2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide has a molecular weight of 402.52 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-[(5-phenylpyrazolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 75259165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).