N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide

C15H21N3O4S — CID 72917936

IUPACN-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H21N3O4S/c1-11(19)17-14-10-18(15(20)8-16-23(2,21)22)9-13(14)12-6-4-3-5-7-12/h3-7,13-14,16H,8-10H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyBKUFBGLKPWFOST-KGLIPLIRSA-N
MW339.42 g/mol
LogP-0.33
Rot. Bonds5

About N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide

N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide (PubChem CID 72917936) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide
PubChem CID72917936
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H21N3O4S/c1-11(19)17-14-10-18(15(20)8-16-23(2,21)22)9-13(14)12-6-4-3-5-7-12/h3-7,13-14,16H,8-10H2,1-2H3,(H,17,19)/t13-,14+/m1/s1
InChIKeyBKUFBGLKPWFOST-KGLIPLIRSA-N
XLogP-0.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S,4R)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]carbamate
CID 100741005
N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 120744936
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide
CID 166614218
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-pyridin-2-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 70739524
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]acetamide
CID 72894365
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(4,4,4-trifluorobutanoyl)pyrrolidin-3-yl]acetamide
CID 70706732
N-[4-(4-methoxyphenyl)-1-(2-propylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 78087482
N-[(3S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70735467
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(2-pyridin-4-ylacetyl)pyrrolidin-3-yl]acetamide
CID 72839406
N-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 120748005
N-[2-[(3R,4S)-4-amino-3-phenylpiperidin-1-yl]-2-oxoethyl]acetamide;methane;sulfane
CID 158027672

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide (CID 72917936) is N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CN(C(=O)CNS(C)(=O)=O)C[C@@H]1c1ccccc1.
What is the InChIKey of N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide?
The InChIKey is BKUFBGLKPWFOST-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-11(19)17-14-10-18(15(20)8-16-23(2,21)22)9-13(14)12-6-4-3-5-7-12/h3-7,13-14,16H,8-10H2,1-2H3,(H,17,19)/t13-,14+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide?
N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72917936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).