1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide

C28H38N4O4S — CID 142642008

IUPAC1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N[C@@H](C(=O)N1CCCC1C(=O)NCCC1CCNCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38N4O4S/c1-37(35,36)31-26(25(22-9-4-2-5-10-22)23-11-6-3-7-12-23)28(34)32-20-8-13-24(32)27(33)30-19-16-21-14-17-29-18-15-21/h2-7,9-12,21,24-26,29,31H,8,13-20H2,1H3,(H,30,33)/t24?,26-/m1/s1
InChIKeyQUQBUARPYKRQPA-JUERFOTFSA-N
MW526.70 g/mol
LogP2.23
Rot. Bonds10

About 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide

1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 142642008) has the molecular formula C28H38N4O4S and a molecular weight of 526.70 g/mol. Its IUPAC name is 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide
PubChem CID142642008
Molecular FormulaC28H38N4O4S
Molecular Weight526.70 g/mol
Exact Mass526.26
IUPAC Name1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N[C@@H](C(=O)N1CCCC1C(=O)NCCC1CCNCC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H38N4O4S/c1-37(35,36)31-26(25(22-9-4-2-5-10-22)23-11-6-3-7-12-23)28(34)32-20-8-13-24(32)27(33)30-19-16-21-14-17-29-18-15-21/h2-7,9-12,21,24-26,29,31H,8,13-20H2,1H3,(H,30,33)/t24?,26-/m1/s1
InChIKeyQUQBUARPYKRQPA-JUERFOTFSA-N
XLogP2.23
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.70
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

methyl 4-[[(2S)-1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]piperidine-2-carbonyl]amino]butanoate
CID 142641995
(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[2-(methanesulfonamido)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 59922003
(2S)-N-[(5-carbamimidoylthiophen-2-yl)methyl]-1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 10995244
(2S)-N-[3-(diaminomethylideneamino)-3-oxopropyl]-1-[(2R)-2-(ethylsulfonylamino)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 146029939
methyl 3-[[(2S)-1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 142641996
(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071464
(2S)-1-[(2R)-2-(benzylsulfonylamino)-3,3-diphenylpropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
CID 10121908
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(3S)-3-(methanesulfonamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 70101228
(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071366
1-benzyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119538060
N-[(4-aminocyclohexyl)methyl]-1-[(2R)-2-amino-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide
CID 10411396
(2S)-N-[(5-carbamimidoyl-2-pyridinyl)methyl]-1-[3,3-diphenyl-2-(sulfamoylamino)propanoyl]pyrrolidine-2-carboxamide
CID 59921987

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide (CID 142642008) is 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide is CS(=O)(=O)N[C@@H](C(=O)N1CCCC1C(=O)NCCC1CCNCC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is QUQBUARPYKRQPA-JUERFOTFSA-N. The full InChI is InChI=1S/C28H38N4O4S/c1-37(35,36)31-26(25(22-9-4-2-5-10-22)23-11-6-3-7-12-23)28(34)32-20-8-13-24(32)27(33)30-19-16-21-14-17-29-18-15-21/h2-7,9-12,21,24-26,29,31H,8,13-20H2,1H3,(H,30,33)/t24?,26-/m1/s1.
What are the key properties of 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide?
1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 526.70 g/mol, XLogP of 2.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(methanesulfonamido)-3,3-diphenylpropanoyl]-N-(2-piperidin-4-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 142642008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).