N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide

C22H25N3O4S — CID 25414621

IUPACN'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H25N3O4S/c26-21(22(27)24-20-9-5-7-16-6-1-2-8-19(16)20)23-17-10-12-18(13-11-17)30(28,29)25-14-3-4-15-25/h1-2,6,8,10-13,20H,3-5,7,9,14-15H2,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyQTTXLKZSGAXJED-FQEVSTJZSA-N
MW427.53 g/mol
LogP2.60
Rot. Bonds4

About N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide

N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide (PubChem CID 25414621) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide.

Molecular Properties

Compound NameN'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
PubChem CID25414621
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC NameN'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C22H25N3O4S/c26-21(22(27)24-20-9-5-7-16-6-1-2-8-19(16)20)23-17-10-12-18(13-11-17)30(28,29)25-14-3-4-15-25/h1-2,6,8,10-13,20H,3-5,7,9,14-15H2,(H,23,26)(H,24,27)/t20-/m0/s1
InChIKeyQTTXLKZSGAXJED-FQEVSTJZSA-N
XLogP2.60
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28552190
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
2-chloro-5-piperidin-1-ylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4235471
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
3-(4-piperidin-1-ylsulfonylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46385955
4-morpholin-4-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450785
1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 99131679
2-methyl-5-piperidin-1-ylsulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2361857
2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41167076
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3195561

Frequently Asked Questions

What is the IUPAC name of N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide?
The IUPAC name of N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide (CID 25414621) is N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide.
What is the SMILES notation for N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide?
The canonical SMILES for N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide?
The InChIKey is QTTXLKZSGAXJED-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O4S/c26-21(22(27)24-20-9-5-7-16-6-1-2-8-19(16)20)23-17-10-12-18(13-11-17)30(28,29)25-14-3-4-15-25/h1-2,6,8,10-13,20H,3-5,7,9,14-15H2,(H,23,26)(H,24,27)/t20-/m0/s1.
What are the key properties of N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide?
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide has a molecular weight of 427.53 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide is sourced from PubChem (CID 25414621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).