2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

C20H25N3O3S — CID 124739814

IUPAC2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCC[C@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-15(16-9-11-18(12-10-16)27(21,25)26)22-20(24)14-23-13-5-8-19(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,22,24)(H2,21,25,26)/t15-,19-/m0/s1
InChIKeyTYBPKEUPKVXYGK-KXBFYZLASA-N
MW387.51 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 124739814) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID124739814
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN1CCC[C@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H25N3O3S/c1-15(16-9-11-18(12-10-16)27(21,25)26)22-20(24)14-23-13-5-8-19(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,22,24)(H2,21,25,26)/t15-,19-/m0/s1
InChIKeyTYBPKEUPKVXYGK-KXBFYZLASA-N
XLogP2.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 26009328
2-[(4R)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 129376769
3,3-diphenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 4793818
2-phenylsulfanyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 2572446
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9434707
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
3-cyclopentyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]propanamide
CID 8895164
3-amino-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 43702371
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9033490
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9033481

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 124739814) is 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is C[C@H](NC(=O)CN1CCC[C@H]1c1ccccc1)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is TYBPKEUPKVXYGK-KXBFYZLASA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-15(16-9-11-18(12-10-16)27(21,25)26)22-20(24)14-23-13-5-8-19(23)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3,(H,22,24)(H2,21,25,26)/t15-,19-/m0/s1.
What are the key properties of 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 124739814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).